Keyword Manual PDF

PRO/II 8.
0
Keyword Manual
License and Copyright Information
PRO/II 8.0
The software described in this guide is furnished under a written agreement and may be
used only in accordance with the terms and conditions of the license agreement under
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Invensys Systems, Inc. makes no warranty as to its accuracy or use. Any use of the
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Documentation may include technical or other inaccuracies or typographical errors.
Invensys Systems, Inc. reserves the right to make changes without prior notice.
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Trademarks PRO/II and Invensys SIMSCI-ESSCOR are trademarks of Invensys plc, its
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®
RATEFRAC P P is a trademark registered to KOCH-GLITSCH.
®
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Printed in the United States of America. June 2006

Table of contents
1 – INTRODUCTION..............................................................................................1
TU UT
2 – RUNNING PRO/II.............................................................................................9
TU UT
3 – INPUT CONVENTIONS .................................................................................11

TU UT
4 – DIMENSIONAL UNITS ..................................................................................23

TU UT
5 – GENERAL DATA...........................................................................................33
TU UT
6 – COMPONENT DATA .....................................................................................53

TU UT
7 – REGRESS ......................................................................................................59
TU UT
8 – THERMODYNAMIC KEYWORD SUMMARY ...............................................69

TU UT
9 – STREAM DATA .............................................................................................79

TU UT
9.1 – STREAMS WITH DEFINED COMPOSITION .............................................85

TU UT
9.2 – STREAMS WITH ASSAY DATA ................................................................89

TU UT
9.3 – REFERENCE STREAMS .........................................................................107

TU UT
9.4 – STREAMS WITH SOLIDS ........................................................................113

TU UT
9.5 – STREAM DOCUMENTATION ..................................................................119

TU UT
10 – UNIT OPERATIONS ..................................................................................137

TU UT
10.1 – FLOWSHEET TOPOLOGY ....................................................................139

TU UT
10.2 – UNIT OPERATION INPUT .....................................................................141

TU UT
10.3 – FLOWSHEET PARAMETERS ...............................................................149

TU UT
10.4 – SPECS, CONSTRAINTS AND OBJECTIVES .......................................169

TU UT
10.5 – DEFINE ...................................................................................................177

TU UT
10.6 – VARY AND CHANGE STATEMENTS ...................................................181
TU UT
10.7 – PROCEDURE DATA .............................................................................187

TU UT
10.8 – REACTION DATA ..................................................................................203

TU UT
11.1 – FLASH ....................................................................................................215

TU UT
11.2 – PUMP ......................................................................................................225

TU UT
11.3 – VALVE ....................................................................................................229

TU UT
11.4 – MIXER .....................................................................................................231

TU UT
11.5 – SPLITTER ...............................................................................................235

TU UT
11.6 – COMPRESSOR ......................................................................................239

TU UT
11.7 – EXPANDER ............................................................................................247

TU UT
11.8 – PIPE ........................................................................................................251

TU UT
11.9 – BLEND ....................................................................................................263

TU UT
11.10 – RESET ..................................................................................................265

TU UT
11.11 – COMPONENT PROPERTY REPORTER .............................................267

TU UT
11.12 – CAPE-OPEN .........................................................................................269

TU UT
12 – DISTILLATION ..........................................................................................271
TU UT
12.1 – COLUMN INPUT.....................................................................................274

TU UT
12.2 – IO ALGORITHM......................................................................................321
TU UT
12.3 – SURE ALGORITHM ...............................................................................337

TU UT
12.4 – CHEMDIST ALGORITHM ......................................................................347

TU UT
12.5 – REACTIVE DISTILLATION ....................................................................361

TU UT
12.6 – ENHANCED IO ALGORITHM ................................................................377

TU UT
12.7 – COLUMN HYDRAULICS ........................................................................391

TU UT
12.8 – SHORTCUT DISTILLATION ..................................................................423
TU UT
12.9 – LIQUID-LIQUID EXTRACTION ..............................................................433

TU UT
12.10 – RATEFRAC® ALGORITHM ..................................................................447

TU UP UP UT
13.1 – SIMPLE HEAT EXCHANGER ................................................................477

TU UT
13.2 – RIGOROUS HEAT EXCHANGER..........................................................493

TU UT
13.3 – LNG HEAT EXCHANGER ......................................................................519

TU UT
13.4 – AIR COOLED HEAT EXCHANGER.......................................................527

TU UT
13.5 – FURNACE...............................................................................................539
TU UT
14.1 – EQUILIBRIUM REACTOR .....................................................................545

TU UT
14.2 – CONVERSION REACTOR .....................................................................557

TU UT
14.3 – GIBBS REACTOR ..................................................................................567

TU UT
14.4 – PLUG FLOW REACTOR ........................................................................581

TU UT
14.5 – CSTR ......................................................................................................601

TU UT
14.6 – POLYMER ELECTROLYTE FUEL CELL .............................................617

TU UT
15 – SOLIDS ......................................................................................................621
TU UT
15.1 – SOLIDS DRYER .....................................................................................623

TU UT
15.2 – ROTARY DRUM FILTER .......................................................................629

TU UT
15.3 – FILTERING CENTRIFUGE .....................................................................635

TU UT
15.4 – COUNTER CURRENT DECANTER.......................................................641

TU UT
15.5 – DISSOLVER ...........................................................................................647

TU UT
15.6 – CRYSTALLIZER .....................................................................................653

TU UT
15.7 – MELTER / FREEZER..............................................................................660

TU UT
15.8 – SOLIDS SEPARATOR ...........................................................................666

TU UT
15.9 – CYCLONE...............................................................................................668
TU UT
15.10 – MEMBRANE SEPARATOR .................................................................679

TU UT
16.1 – CALCULATOR .......................................................................................681

TU UT
16.2 – STREAM CALCULATOR .......................................................................697

TU UT
16.3 – HEATING- COOLING CURVES .............................................................709

TU UT
16.4 – PHASE ENVELOPE ...............................................................................717

TU UT
16.5 – HYDRATES ............................................................................................721

TU UT
16.6 – BINARY VLE/LLE DATA .......................................................................725

TU UT
16.7 – HEXTRAN PROPERTY DATA GENERATOR .......................................729

TU UT
16.8 – COMPONENT LUMPING .......................................................................735

TU UT
17.1 – FEEDBACK CONTROLLER ..................................................................739

TU UT
17.2 – MULTI-VARIABLE CONTROLLER .......................................................745

TU UT
17.3 – FLOWSHEET OPTIMIZER .....................................................................751

TU UT
17.4 – RECYCLE ...............................................................................................771

TU UT
18.1 – RESTART ...............................................................................................779

TU UT
18.2 – CASE STUDY .........................................................................................789

TU UT
18.3 – INTERACTIVE EXECUTION ..................................................................808

TU UT
19.1 – DEPRESSURING UNIT ..........................................................................821

TU UT
19.2 – UPSTREAM UNIT OPERATION ............................................................837

TU UT
19.3 –BATCH DISTILLATION ...........................................................................849

TU UT
19.4 – BATCHFRAC® ALGORITHM .................................................................884

TU UP UP UT
20 – PIPEPHASE UNIT OPERATION (PPUOP)...............................................929

TU UT
TU 21.1 – PROCESS TAG/ RAW DATA FILES ....................................................933 UT

21.2 – TAG DATA INPUT REQUIREMENTS....................................................935
TU UT
1 – INTRODUCTION
U
Overview
The keyword manual comprises of an extensive description of the keyword data input
®
requirements in Version 8.0 of the PRO/II simulation program. PRO/II is a
P P
comprehensive computer simulation system targeted for process engineers in the

chemical, petroleum, natural gas, solids processing, and polymer industries. It combines
the data resources of a large chemical component library and extensive thermodynamic
property prediction methods, with the most advanced and flexible unit operations
techniques. It provides the process engineer with the computational facilities to perform all
mass and energy balance calculations needed to model most steady-state processes.
PRO/II is a simulator designed with both the beginner and the expert in mind. It is based
on a foundation of comprehensive, reliable, and accurate simulation capabilities. It is easy
to use, and the input language is an extension of the universal language of chemical
engineering. Expert systems, extensive input processing, and error checking allow even
an inexperienced user to be instantly productive. These features have made PRO/II an
industry standard.
PRO/II supports two basic user interfaces. The one described in this manual is keyword
data entry. Keyword data allow direct entry of instructions in a language understood by
both the user and the program. It is suitable for either batch or interactive execution. The
other is an interactive Windows™ compliant user interface. That capability is described in
the PRO/II User’s Guide.
Chapter 1 INTRODUCTION 1
Where Can I Find Additional Help?
If You Want To . . . See . . .

Learn how to install PRO/II on your The PRO/II PC/LAN Installation Guide
computer
Quickly learn the basics of PRO/II The PRO/II Quick Reference Card
Quickly learn how to simulate a simple The PRO/II Tutorial Guide
flowsheet using PRO/II
Obtain detailed information on the The PRO/II User’s Guide
capabilities and use of PRO/II
Obtain basic information on the The Online help
calculation methods used in PRO/II
Read more detailed information on the The PRO/II Reference Manual
calculation methods used in PRO/II
See simulation examples for chemical, The PRO/II Application Briefs Manual
solid processing, petrochemical, batch,
and electrolyte applications
Who Should Use This Manual?

Anyone executing PRO/II using keyword data entry should use this manual. The MS
Windows graphical user interface version of PRO/II generates a keyword file as part of the
output of a simulation. This keyword file is an ASCII representation of the simulation and
can be archived or transferred from one user to another or from one operating system or
platform to another. Users of PRO/II’s graphical user interface will find this manual to be a
useful reference in interpreting the keyword representation of the simulation.
New users should find this book easy to master. The introductory and general information
chapters and examples are especially helpful.
Experienced users will appreciate the comprehensive coverage and expert advice. Those
who wish to explore the full capabilities of the program will find a vast array of features to
investigate. Proficient users usually use the manual as a desktop reference.
For users of an earlier version of PRO/II (or its predecessor, PROCESS), this manual will
help make a smooth transition to Version 7.1. Users should note that there are no radical
changes to the keyword interface.
How Is This Manual Organized?

Overall, the organization of the manual reflects the steps typical in the creation of a
keyword input file. Tabs partition the manual into subjects that correspond to major
chapters of an input file. Smaller chapters subdivide the major subjects into manageable,
readily available parts.
Each chapter focuses on the input requirements of a particular feature. Early chapters
deal with data required by all input files, including General, Component, Thermodynamic,
Stream, and general Unit Operations Data. An effective user must be familiar with the
minimum requirements in these chapters. Later chapters deal with individual types of unit
operations. The user may skip chapters describing unit operations that are not of current
2 PRO/II KEYWORD MANUAL JUNE 2006

interest. Chapters near the end of the manual describe advanced features such as
optimizers, controllers, recycle control, restart, and case studies.
The following is an example of a fairly typical problem. It illustrates the correspondence
between the organization of the manual and the structure of an input file.
Sample Keyword Keyword Manual

TITLE PROJECT=KW MANUAL, PROB=DEMO1 Chapter 5
DESCRIPTION FLASH F2 TEMP= 10 DEGREES
DIMENSIONS ENGLISH
COMPONENT DATA Chapter 6 and
LIBID 1, N2/ 2, CO2 / 3, C1 / 4, C2 / & Chapters 1.2 - 1.4 of
5, C3/ 6, IC4/ 7, NC4/ 8, NC5/ 9, NC6 the SIMSCI
PETRO 10, BP135, 120, 0.757, 135 / & Component and
11, BP260, 200, 0.836, 260 Thermodynamic Data
Input Manual
THERMODYNAMIC DATA Chapter 8, and
METHOD SYSTEM= SRK, SET=SET01 Chapters 2.1 - 2.9 of
the SIMSCI
Component and
Thermodynamic Data
Input Manual
STREAM DATA Chapters 9, 9.1
PROP STREAM= 1, TEMP= 200, PRES= 2000, &
COMP= 180 / 190.9 / 1443 / 902.1 / 721.9 / &
76.57 / 279.4 / 94.77 / 162.4 / 153.3 /1191
PROP STREAM= FD-1, TEMP= 40, PRES= 2000, &
COMP(M)= 4, 4000 / 5, 8000 / 6, 4000
NAME 1, MAIN FEED / FD-1, SEC-FEED
UNIT OPERATIONS Chapter 10.2
HX UID= HX1, NAME= AFTERCOOL-1 Chapter 13.1
HOT FEED= 1, 7, V= 4, METHOD= SET01
COLD FEED= FD-1, V= PR-2, METHOD= SET01
OPER HTEMP= 90
CONFIG AREA= 5000, FT= 0.95
FLASH UID= F2, NAME= STAGE 1 SEP Chapter 11.1
FEED 4
PROD V= 6, L= 5
ISO TEMP= 10, PRES= 1000
SPLITTER UID= SP1, NAME= UNIT-SP1 Chapter 11.5
FEED 5
PROD M= 7, M= 8
SPEC STREAM= 7, RATE(M), RATIO, &
REFFEED, RATE(M), VALUE= 0.1
Each chapter provides complete information about a specific program feature. First is a
summary of all available keywords. Next is some general information, followed by a
detailed discussion of the input requirements. Usually, each chapter ends with a few
illustrative examples. After becoming familiar with a PRO/II feature, the user normally
needs to refer only to the Keyword Summary, and less frequently to the in-depth
information that follows.
The Keyword Summary presents the form of all keyword statements described in a
chapter. It serves as a quick overview of input requirements without having to refer to the
detailed material that follows. A quick inspection reveals all valid combinations of
statements, keywords, and data entries. It shows all available options and indicates which
data is required, optional or conditional.
General Information is the second part of each chapter. This is the introductory material
that imparts a general understanding of the purpose and capabilities of the feature.
Input Description is a detailed explanation of all statements shown in the Keyword
Summary. It discusses every available keyword and data entry. It is an in-depth
presentation of the do’s and don’ts of using the feature and clearly describes the purpose
and use of every entry on each statement.
Examples, the last part of each chapter includes instructive demonstrations of typical
applications. Normally, each example begins with a statement of problem conditions. Next
comes a sample of the actual keyword input that satisfies the stated conditions.
Comparing the sample input to the problem statement is often a quick way to become
familiar with a new feature.
PRO/II Upgrades
PRO/II is constantly evolving through continuous development work that enhances
existing capabilities and adds new ones. While great effort is made to maintain
compatibility with earlier versions, complete agreement cannot always be assured. These
considerations make it important to have the appropriate manual for the version of the
program being used.
Input manual updates are available with each release. This manual is based on Version
7.1, released in 2005. The best source of information about programs, manuals, and other
SimSci™ products is a SimSci representative.
Customer Support Centers

The PRO/II simulation program is technically supported and serviced by SimSci and its
agents and representatives around the world. Please contact any SimSci service center,
agent, or representative for information, and consultation about PRO/II or any other
SimSci products.

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Email: support@simsci.com Home Page: http://www.simsci.com

2 – RUNNING PRO/II
U
General Information
T
PRO/II operates on a broad range of computer platforms. The PRO/II keyword file is the
common input language that allows input data to be transferred to any computer. Within
the tolerances afforded by the compilers used on each computer, the same input file will
always produce the same results, regardless of where the calculations are executed.
PRO/II usage may be divided into two broad classes of users:
1. PRO/II Graphical User Interface (GUI) users
2. Keyword users.
GUI Users
Refer to the PRO/II 8.0 Installation Guide for usage and system requirements.
Keyword Users (PC and Workstation)

Please refer to the installation guide, which accompanies your particular version.
Chapter 2 RUNNING PRO/II 9

This page is intentionally left blank
10 PRO/II KEYWORD MANUAL MAY 2005

3 – INPUT
U
CONVENTIONS
This section defines a few basic terms required to discuss keyword input. The following
sections present the syntactical rules of the input language.
Basic Concepts
Data Entries
Data entries (or simply “entries”) are the basic constructs used to enter input data. An
entry may consist of a keyword, numeric data, or a combination of both. Most entries
begin with a keyword.
Any entry that appears enclosed by braces is always optional. Also, entries that are shown
as having a default value or setting are optional, even when no braces are present.
Numeric Data
Numeric data are integer or floating-point (“real”) numbers. A floating-point value may
include a decimal fraction, while an integer cannot. In this manual, an argument or entry
represented by the word “value” may be a floating-point number of any value (subject to
any imposed constraints). Other markers, such as “i”, “j”, “cno”, “idno”, etc., indicate
integer values. An integer entered for a floating-point value is converted to its floating-
point form; but a floating-point value entered in place of an integer causes an error.
When you do not supply any value, the specific numeric value shown is the default value
used. Any entry having a default is optional, even when not otherwise shown (such as by
enclosing the entry in braces).
Decimal points are not required for whole numbers, and scientific (E) notation may be
used for any floating-point number. For example:
PROP STREAM= 1, TEMP=100, PRES= 14.7E0, COMP=1, 1E2
Keywords
A keyword is a mnemonic word that identifies a category, a statement, or a datum in the
input. Most keywords may be abbreviated to the first four characters and only these four
characters need to be spelled correctly. There are a few exceptions to this rule, but they
are well documented in this manual. For example, the following two statements are
equivalent and valid, despite the misspelling of ‘‘METRIC’’.
DIMENSION METRIC (valid)

DIME METRISCH (valid)
If the keyword is less than four characters, then it will be interpreted as complete
when the full key word is read.
Chapter 3 INPUT CONVENTIONS 11

OPERATION PRES(PAIG)= 1.0
Will be read as
OPERATION PRES(PA)= 1.0
since PA is a valid Keyword for Pascal.
A keyword that stands alone is a complete entry that acts as a switch. The mere presence
of the keyword ‘‘turns on’’ the option it represents. If underlined, the keyword is the default
choice and is optional.
Some keywords require one or more arguments. An equal sign (=) and a representation of
the argument immediately follow all keywords that require arguments.
Sometimes keywords act as arguments to other key words. Normally in this case, one
keyword selected from a set of choices serves as the argument. If a default exists, it
usually appears underlined as the first keyword in the set.
Underlined keywords, shown as arguments, indicate default settings and consequently are
always optional. For example:
Documented Form Sample Input

PRINT RATE= M or WT or LV, {TBP}
U U PRINT RATE= WT
The only choices for the argument of RATE are the keywords M, WT, or LV. The entire
“RATE= M or WT or LV” entry is optional, since RATE=M is used by default when the
entire entry is missing. Since a default is shown, no braces appear to show that the entry
is optional.
The TBP entry is optional (because of the braces). Omitting this entry turns “off” the TBP
option, since TBP is not underlined and not a default selection.
Qualifiers
A qualifier modifies or enhances a keyword. It always follows immediately after the
keyword and precedes an equal sign. It is always optional and always appears enclosed
in parentheses. Qualifiers may be keywords, perhaps representing dimensional units, or
integers, depending upon the usage. Some qualifiers may include several items, but rarely
allow a floating-point value. As an example:
Documented Form Sample Input

OPERATION DP(unit)= 0.0 OPER DP(PSI)= 5.0
In this example, the word “unit” in parentheses following keyword DP shows the
availability of an optional dimensional units qualifier. Since DP represents pressure drop
(or pressure difference), “unit” represents any keyword from the “pressure difference”
class of dimensional units (see Table 4.2). If the DP entry (or the entire statement) is
omitted from the input file, the default value for pressure drop is zero. The above sample

input specifies a pressure drop of five pounds per square inch instead of the default value
of zero (shown in the documented form).
Each qualifier of this type is described in the “Input Description” section that defines the
particular keyword. Some of the more commonly used qualifiers are:
unit This should be replaced by a keyword representing a

dimensional unit from an appropriate dimensional unit
class.
basis This qualifier represents a pseudo-class of dimensional
unit that includes keywords M (molar), WT (weight), LV
(liquid volume), and GV (gas or vapor volume). Normally,
the default basis is M (molar).
i, j Component numbers assigned in the Component Data
Category of input.
idno An integer value assigned to identify an item such as a
cell in an LNG heat exchanger, or a heater/cooler in a
distillation column.
Arguments
An argument supplies additional data required by certain keywords. In these cases, the
argument always follows the equal sign after the keyword. Specific numeric values shown
as arguments represent default values. When no default value exists, “value”, “i”, “text”,
“option”, or another indefinite marker shows the type of argument required. For example:
DOCUMENTED FORM SAMPLE OF ACTUAL INPUT

TITLE {PROJECT= text} TITLE PROJ= Sample One
TITLE is a required stand-alone keyword that identifies the statement and does not require
an argument.
The “PROJECT= text” entry is optional, as shown by the braces. Keyword PROJECT
could be truncated to PROJ, the first four characters. The equal sign separates keyword
PROJECT from its argument, while “text” shows that any text may serve as the argument.
When the entries on a data line must follow a fixed order, keywords are not needed and
therefore not used. For example:
DOCUMENTED FORM SAMPLE OF ACTUAL INPUT

LIBID i, name {/ j,name/...} LIBID 1,CO2/ 2,H2S/3,C1
SEQUENCE uid, {uid, ...} SEQU F1, F2, E1, T101

Defaults
Defaults are assumed values or settings for essential data that otherwise are missing from
an input file. They usually are reasonable assumptions for typical applications and are
available for many data entries. Depending on the type of data, a default may be a specific
numeric value, either integer or fractional, or a keyword indicating a default option. Any
entry having a default is always optional. When a default is acceptable, no input is
required for that entry. In this manual, defaults are indicated by:
1. An underlined stand-alone keyword,
2. A single argument to a keyword,
3. An underlined keyword argument, in a list, or
4. The presence of a specific numeric value.
For example:
DIMENSION ENGLISH or METRIC or SI ...
U U
Each keyword in this example stands alone, and does not have an argument or a qualifier.
As the first keyword shown, DIMENSION is required to identify the statement. ENGLISH is
the default system of dimensional units, as indicated by the underline.
OPERATION XOPTION=CONTINUE
Entry XOPTION is optional, since it includes a default argument “CONTINUE” indicating
that calculations continue even when an error occurs.
OPERATION TMIN (K) =0.0
The minimum allowable temperature is 0.0 K by default.
HX {ZONES= 5}
The keyword ZONES is optional and by default is turned “off” since it is bracketed.
Entering ZONES without an argument value defaults to 5 zones used for zone analysis.
Dependency and Mutual Exclusion

Text in italics is not part of the input language, and appears only to show dependency or
mutual exclusion among entries. This applies most often to the words “or” and “and.”
Entries separated by “or” are mutually exclusive. Entries separated by “and” must all
appear if any are used. When neither “or” nor “and” separates entries, no dependency or
exclusion exists.
A group of entries may exclude (or require) other entire groups of entries. Entries in each
group appear together, and are single spaced when they occupy more than one line.
Blank lines separate each group from other groups. The presence of “or” or “and” on the
blank line indicates exclusion or dependency between the groups.

Rules and Conventions
This section discusses the rules and conventions of the keyword input language. Below is
a sample of a keyword input file that illustrates the order of keyword data entry:
TITLE PROJ=COMPRESSOR, PROBLEM=TEST RUN, &
USER=SIMSCI,DATE=9-18-97
DIMENSION METRIC
COMP DATA
LIBID 1, WATER / 2, METHANE / 3, ETHANE / 4, PROPANE
THERMODYNAMIC
METHOD SYSTEM=SRK
STREAM DATA
PROP STREAM=1, PHASE=V, PRES(PSIA)=400, &
COMPOSITION(M)=82 / 1043/813 / 412
UNIT OPERATION DATA
HX UID=1, NAME=FEED COOLER
HOT FEED=1, V=2, L=3, DP=10
OPERATION HTEMP(F)=40
$
COMPRESSOR UID=2, NAME=1ST STAGE
FEED 2
PROD V= 4
OPER POUT=1200, EFF=79
END
Data Categories
Input data are divided into the categories listed in Table 3.1. Each category of data and
each unit operation are discussed in a separate section of this manual. Each section
contains a list of the available keywords and a discussion of their use. Refer to Section
18.1, Restart, for alternate input requirements when restarting a problem using keyword
input.

TABLE 3.1
CATEGORIES OF INPUT DATA
Data Category Category Heading Status
Statement
General Data TITLE required
Component Data COMPONENT DATA required
Thermodynamic Data THERMODYNAMIC required
DATA
Stream Data STREAM DATA required
Reaction Data RXDATA optional
Procedure Data PROCEDURE DATA optional
Unit Operations Data UNIT OPERATIONS required
DATA
Recycle Data RECYCLE DATA optional
Case Study CASESTUDY optional
The categories must appear in the order shown in Table 3.1. Statements within each
category may appear in any order, subject to the following restrictions:
1. The first statement of each data category must be the category heading statement.
Refer to Table 3.1.
2. For thermodynamic data, all statements used to describe each thermodynamic set
must be grouped together.
3. For stream data, all assay data for a stream must be grouped together.
4. For unit operations data, the first statement of each module must be the module
heading statement. All other statements that define the module must be grouped
together immediately following the heading statement.
5. An optional statement consisting only of the word END terminates the input file. Any
data after the END statement are ignored.

Input Statements
Entries are grouped together to form statements. Within each category, there are one or
more statements.
Each statement includes one or more lines of data; each line may consist of one or more
data entries. The term “line” refers to an 80-column line of data. If an input statement
requires more than 80 characters, continuation lines must be used.
The first keyword shown on each statement is required to identify the type of statement,
and must always be followed by a space. Other keywords and entries may occur in any
order; those shown enclosed in braces (i.e., { }) are always optional. For example, the
following two lines are equivalent:
PROPERTY STREAM=1, TEMP=100, PRES=100, COMP=1,100
PROP COMP=1,100, PRES=100, TEMP=100, STREAM=1
The exceptions to this rule are the SPECIFICATION, CONSTRAINT, and OBJECTIVE
statements, which are order dependent.
Blanks may be inserted before or after any keyword or data entry, but not inside the
keyword or entry. For example:
DIME PRES=KG/CM2, TEMP=F (valid)
DIME PRES= KG/CM2, TEMP= F (valid)
DIME PR ES=KG/ CM2, TEMP=F (invalid)

One exception to this rule is that alphanumeric entries used for names and descriptions
may have embedded blanks. These include all entries on the TITLE statement, the
DESCRIPTION statement, and all NAME entries. For example:
TITLE PROJECT=INPUT MANUAL, DATE=TODAYS DATE 1988
DESC INPUT CONVENTIONS EXAMPLE
STREAM DATA
NAME 1, FEED STREAM / 2, TOP PRODUCT
Any entry that exceeds the maximum length allowed by the program is truncated. For
example, the DATE is limited to 12 characters (including blanks); therefore, the entry in
the previous example would be truncated to “TODAYS DATE ”.
For multiple data entries in a predefined order, embedded commas must be used as
placeholders for omitted intermediate entries. For example:
PETROLEUM 1, TBP285, 103.4, 49.2, 295.0 / &
2 ,,, 48.4, 300.0 / ...
In this case, the name and molecular weight are missing for component 2. The embedded
commas must be present to maintain the proper sequential order of information. In a few
places where an unambiguous interpretation is possible, there are exceptions to this rule
noted at appropriate places in this manual.

Delimiters
Seven special characters act as delimiters for keyword input. These delimiters are a
required part of the input syntax and must be used only for the purposes described below.
The equal sign associates an argument with a keyword. In

the Procedure Data Category and CALCULATOR module,
= the equal sign separates the left and right-hand sides of
assignment statements.
, The comma separates entries from each other. Often a blank

space may serve the same purpose, but the use of commas
helps avoid ambiguity.
/ The slash (or virgule) separates groups of data in the same
entry. Use commas to separate individual items in a group.
& An ampersand entered at the end of a line indicates
continuation of a statement on the following line. Any data
appearing on the same line to the right of the ampersand are
ignored.
When continuing a statement onto a subsequent line, place the ampersand after a
complete entry or group, never between a keyword and its argument, or in the middle of a
keyword. The continuation line must begin with a new keyword or data entry, and must not
begin with a delimiter, part of a keyword, or part of a numeric value. For example:
VALID INVALID
PROP & PROP ST&
STREAM=1, TEMP=100, & REAM=1, TEMP &
=10&
PRES=14.7,COMP=1, 100 / & 0,PRES=14.7, COMP=1, 10 &
3, 25 / 66.3 / 33.1 0 / 3, 25 / 66 &
.3 / 33.1

* Within the body of the PROCEDURE section of a
CALCULATOR module, an asterisk indicates multiplication,
while two asterisks together (i.e., ) show exponentiation.
Anywhere else in the input file, an asterisk may appear in
place of an ampersand to show continuation.
$ A dollar sign marks the beginning of a comment, and
anything to the right of the “$” is ignored. Therefore, any
continuation mark (“&” or “”) appearing on the same line to
the right of the “$” is ignored. When the dollar sign appears
as the first character on a line, the entire line is treated as a
comment.
( ) Parentheses enclose qualifiers of keywords. They are
required whenever a qualifier is entered.
In the absence of a delimiter, the input processor interprets blank spaces between a
keyword and its arguments (or between two entries) as an “=” or “,”. The use of delimiters
is recommended for clarity, especially when entering descriptive text containing
embedded blanks.
Dimensional Units
Any keyword that has units of measurement allows an optional qualifier that defines the
dimensional units used for data entry. The qualifier appears in parentheses after the
keyword. For example:
PROP STREAM=1, TEMP(C)=100, PRES(PSIA)=14.7, &
COMP(M)=100
In the General Data Category, the user defines a default set of dimensional units that are
used globally when the units are not supplied as a part of an entry. These global units
often are referred to as problem units, input units, or problem input units. Dimensional
units declared as keyword qualifiers act as local overrides to the global set. Complete
tables of all keywords for all classes of dimensional units are shown in Section 4,
Dimensional Units.
All heater-cooler duties are entered in millions of energy units per time. All
enthalpy data is entered either in energy units per weight unit or in thousands of energy
units per mole.
Stream and Unit Operation Identifiers and Names

Each stream must have an identification label assigned to it. This stream identifier (or
“sid”) uniquely identifies the stream and may contain up to twelve alphanumeric
characters. Each character may be alphabetic (A to Z), numeric (0 to 9), or one of the
special characters “+” (plus sign), “-” (minus sign), or “_” (underline). PRO/II does not
distinguish between upper and lower case letters.

All other characters, including embedded blanks and the delimiters defined above,
are invalid.
Each unit operation module should have a unique unit identifier (“uid”) assigned using the
same conventions as for stream labels above. Strictly speaking, the “uid” is optional for
keyword input; but it is so useful, this manual always lists it as required.
Each stream and unit operation optionally may have a descriptive name containing up to
twelve alphanumeric characters. These names often help clarify program output. Unlike a
stream “sid” or a unit operation “uid”, names may include embedded blanks and do not
have to be unique.
Read Option
The READ statement allows the user to read sections of data into a keyword input file
from remote data files. The sections of data appear in the remote files exactly as they
would appear in the keyword file. These files are then inserted into the keyword input file
at the READ statement locations.
For example, consider the following files:
File name= R1.DAT
U
TITLE
READ SOUR.DAT
STREAM DATA
PROP STREAM=1,TEMP=100,PRES=100,&
COMP=50/25/25/25
UNIT OPERATION
...
File name=SOUR.DAT
U U
COMPONENT DATA
LIBID 1,H2S/2,CO2/3,H2O/4,C1
THERMO
METHOD SYSTEM=SOUR
The resulting file as interpreted by the PRO/II input processor would be:
TITLE
COMPONENT DATA
LIBID 1,H2S/2,CO2/3,H2O/4,C1
THERMO
METHOD SYSTEM=SOUR
STREAM DATA
PROP STREAM=1,TEMP=100,PRES=100,&
COMP=50/25/25/25
UNIT OPERATION
...

The rules for file names are as follows:
1. Any valid file name for the computer being used is accepted if the name is given
in full.
2. When an extension is not given for the file name, the extension defaults to the
input file extension. For example, on VAX VMS, all input files have a .DAT
extension. By default, remote files also have a .DAT extension.
3. When the prefix is omitted for the file name, the input file name prefix is
assumed.
For example, if the input file name is C1.DAT, the following remote files are read:
Input File Action Taken

READ SOUR Reads remote file SOUR.DAT.
READ .THR Reads remote file C1.THR.
READ SOUR.THR Reads remote file SOUR.THR.
READ C1.DAT Error. Input file cannot read itself.
Annotating Objects with Notes

PRO/II supports object annotation for a variety of flowsheet objects. These include
individual streams, unit operations, and thermodynamic METHOD sets. Additionally, a
single Note is supported that applies to the entire component slate used in the problem.
Notes for individual components are not supported. Notes may be viewed and edited
interactively through the PRO/II graphical user interface. Except for input processing,
Notes are not otherwise supported through keywords.
Because of the descriptive nature of object annotation, many of the usual keyword rules
and delimiters do not apply to Notes. This is necessary because of the length of the Note
and the restrictions imposed by keyword syntax. The following rules apply when entering
the text of a Note in a keyword input data file:
1. The TEXT keyword is required on each NOTES statement.
2. The body of the Note begins with the first non-blank character following the TEXT
keyword. An optional “equals” sign (=) immediately following the TEXT keyword
is ignored. Except for ampersands and quotation marks used in the specific
situations described below, there are no restrictions on the characters allowed in
the text.
3. No line may extend beyond column 80 (normal keyword restriction).
4. The text of the Note may be continued on a succeeding line by inserting an
ampersand (&) as the last non-blank character on the current line. Such
ampersands are not included as part of the text of the Note. However,
ampersands anywhere else in the text are considered part of the text.

5. On each line, leading blanks are ignored. Trailing blanks (before a final
ampersand) are retained as part of the text of the Note.
6. The first 4000 characters are saved as the body of the Note. Additional
characters are processed and discarded.
7. When the first non-blank character is not a quotation mark (“), any number of
quotation marks may appear in the remainder of the Note body.
8. When the first non-blank character is a quotation mark (“), the Note text extends
to the next quotation mark. Characters that follow the second quotation mark are
not part of the Note. They are processed according to normal keyword
conventions. When no second quotation mark is present, the Note text extends
to the end of the statement.
Examples
Examples of the Object Annotation feature follow.
COMPONENT DATA
NOTES TEXT = the component slate for this simulation contains light &
hydrocarbons.
LIBID 1, ETHANE/ 2, PROPANE/ 3,IBUTANE/ 4, BUTANE
METHOD SYSTEM = SRK
NOTES TEXT = Additional method SRK is defined to be used with BVLE unit.
FLASH UID=FL1
NOTE TEXT= Flash “FL1” & Stream “S1” & are used together.
The following Note is stored for this unit operation (including ampersands and quotation
marks):
Flash “FL1” & Stream “S1” are used together.
PROP STREAM=S1, ...
NOTE TEXT= “This note documents & Stream S1.”, SID=S1
This saves the following as the Note for this stream:
This Note documents Stream S1.
The quotation marks enclosing the body of the Note are not saved as part of the Note, but
allow the SID=S1 entry to appear on the statement after the Note.

4 – DIMENSIONAL
U
UNITS
PRO/II offers great flexibility in the dimensional units available for supplying data and
printing results. Although the program uses a consistent set of units internally to perform
most calculations, the user isn’t required to use them, or even be aware of them. Since
PRO/II recognizes most of the more common units (and many of the less common as
well) the user usually can use any available data directly, without having to convert it to
dimensions recognized by the program.
There are three mechanisms by which the program identifies dimensional units.
1. The DIMENSION statement in the General Data Category declares the default
dimensions used for all input and output processing. Any data entered without a
specific dimensional unit qualifier uses the units declared on the DIMENSION
statement. This statement allows the user to declare a system of units, individual
units, or a mixed set consisting of a system modified by individual unit declarations.
If not used, the ENGLISH system (Table 4.1) serves as the default. Refer to Section
5 for further discussions.
Example: Set the default dimensions to SI, but override the temperature units to C,
and the time units to seconds.
TITLE
DIMENSION SI, TEMP=C, TIME=SEC
2. The OUTDIMENSION statement controls the dimensional units used for printing all
results, and has no effect on the dimensional units used to input data. This
statement can generate printout in place of or in addition to results printed using the
units from the DIMENSION statement. If the OUTDIMENSION statement is omitted,
all results appear in the units declared on the DIMENSION statement. See Section
5, General Data, for more information.
Example: Generate an additional output report in ENGLISH units, but override the
standard liquid volume units to barrels.
TITLE
DIMENSION...
OUTDIMENSION ENGLISH, LIQV=BBL
3. Individual dimensional unit qualifiers are available on most entries that define
dimensional quantities, and apply only to the input data supplied by each entry.
When used, these qualifiers supersede the DIMENSION statement or any other
relevant default unit. When omitted, the dimensions of the data are those declared
on the DIMENSION statement. These qualifiers are discussed throughout the
manual.
Example: Set the temperature of stream FD at 100 C, the pressure at 50 psig, the
T
rate at 9000 pounds per hour, and give the composition on a standard liquid volume
basis:T
Chapter 4 DIMENSIONAL UNITS 23

PROPERTY STREAM=FD, TEMP(C)=100, &
PRES(PSIG)=50, RATE(LB/HR)=9000, &
COMP(LV)=100/50/35, NORMALIZE
Providing the qualifier LB/HR on the RATE keyword automatically changes the
basis from M (molar, default) to WT.
Table 4.1 lists the default dimensions included in each available system of units
(ENGLISH, METRIC, and SI). The dimensional classes shown are those that may be
specified on the DIMENSION statement. Table 4.2 lists all dimensional units in all
dimensional classes available through individual entry qualifiers. Refer to the discussion
of the DIMENSION and OUTDIMENSION statements in Section 5, General Data, for more
information and examples.
Table 4.1
Systems of Default Dimensional Units
Units Class ENGLISH METRIC SI
Temperature F C K
2
Pressure psia kg/cm P P kPa
Weight lb kg kg
Time hr hr hr
Length ft m m
Fine Length in mm mm
Velocity ft/sec m/sec m/sec
Energy Btu kcal kJ
Work hp kW kW
6 6 6
Duty 10 Btu/hr P P 10 kcal/hr
P P 10 kJ/hrP P
2 2 2
Heat Transfer Coefficient Btu/hr-ft -F P P kcal/hr-m -C P P kW/m -K P P
Thermal Conductivity Btu/hr-ft-F kcal/hr-m-C W/m-K

Viscosity cp cp Pa-sec
Kinematic Viscosity centistoke centistoke centistoke
Surface Tension dyne/cm dyne/cm N/m
3 3 3
Liquid Volume ft P P m P P m P P
3 3 3
Vapor Volume ft P P m P P m P P
Specific Volume,
3 3 3
Liquid ft /lb
P P m /kg
P P m /kg
P P
3 3 3
Vapor ft /lb
P P m /kg
P P m /kg
P P
3 3 3
Vapor Density lb/ft P P kg/m P P kg/m P P
3 3
Petro Density API gravity kg/m P P kg/m P P

Table 4.2
Available Dimensional Units
Class: TEMPERATURE or TEMPERATURE DIFFERENCE
Keyword Dimensional Units Keyword Dimensional Units
K Kelvin F Fahrenheit
C Celsius R Rankine
Class: PRESSURE or PRESSURE DIFFERENCE
2
D/CM2 Dyne/cm P P ATE Technical atm (gauge)
2
N/M2 Newton/m P P ATM Atmosphere
2
PA Pasca PSIA Pound/inch (abs) P P
2
KPA Kilopascal PSIG Pound/inch (gauge) P P
2
KPAG Kilopascal (gauge) PSF Pound/foot P
MPA Megapascal INH2 Inches of water

P
BAR Bar (absolute) MMH Millimeter of Hg

BARG Bar (gauge) INHG Inches of HG
MMHG Millimeters of Hg MBAR Millibar
TORR Millimeters of Hg MBARG Millibar (gauge)
2
KG/CM2 Kilogram/cm P MPAG Megapascal (gauge)
ATA Technical atm (abs)
P
Class: WEIGHT

G or GM Gram OZ Ounce
KG Kilogram LB Pound
TONM Metric tonne TON Short ton
KTONM 1000 Metric Tons TONL Long ton
MLB 1000 pounds
Class: TIME

SEC Second WK Week
MIN Minute MON Month
HR Hour YR Year
DAY Day
Class: LENGTH or FINE LENGTH
ANG Angstrom M Meter

MMIC Millimicron KM Kilometer
MIC Micron IN Inch
MM Millimeter FT Foot
CM Centimeter YD Yard
DM Decimeter MI Mile

Table 4.2
Class: AREA or FINE AREA

2 2
ANG2 Angstrom P P KM2 Kilometer P P
2
MMIC2 Millimicron P P HECT Hectare
2 2
MIC2 Micron P P IN2 Inch P P
2 2
MM2 Millimeter P P FT2 Foo P P
2 2
CM2 Centimeter P P YD2 Yard P P
2 2
DM2 Decimeter P P MI2 Mile P P
2
M2 Meter P P ACRE Acre
Class: VELOCITY

M/S Meter/second M/HR Meter/hour
MM/S Millimeter/second FT/HR Foot/hour
FT/S Foot/second MM/HR Millimeter/hour
IN/S Inch/second IN/HR Inch/hour
CM/S Centimeter/second CM/HR Centimeter/hour
M/MIN Meter/minute M/DA Meter/day
FT/M Foot/minute FT/DA Foot/day
MM/M Millimeter/minute MM/DA Millimeter/day
IN/M Inch/minute IN/DA Inch/day
CM/M Centimeter/minute CM/DA Centimeter/day
Class: LIQUID VOLUME or VAPOR VOLUME
3 3 3 3
MM P P Millimeter P P MI
P P Mile P P
3 3
CM , CC P P Centimeter P P GAL U.S. gallon*
3 3
DM P P Decimeter P P IGAL Imperial gallon*
LIT Liter BBL API barrel*
3 3 3 3
M P P Meter P P MFT P P 1000 feet P
3 3 3
KM P P 1000 meter P P MMFT 1000000 feet
P P
3 3
IN P Inch P MGAL 1000 gallons
P
3 3
FT
P P P Foot
P P P MMGAL 1000000 gallons
3 3
YD P P Yard P P MBBL 1000 barrels
* Liquid volume only.

Table 4.2
1
Class: LIQUID SPECIFIC VOLUME or VAPOR SPECIFIC VOLUME P P

3 3
CM3/G P PPP Cm /gram mole
P P IN3/LB Inch /pound mole
P P
3
LIT/G Liter/gram mole FT3/LB Feet /pound mole
P P
3
M3/G Meter /gram mole P P GAL/LB U.S. gallon/pound mole
3
CM3/KG Cm /kilogram mole
P P IG/LB Imp. gallon/pound mole
LIT/KG Liter/kilogram mole BBL/LB API barrel/pound mole
3
M3/KG Meter /kilogram mole
P P
Class: LIQUID DENSITY or VAPOR DENSITY

3
G/CM3 Gram/cm P P LB/IN3 Pound/cubic inch
G/LIT Gram/liter LB/FT3 Pound/cubic foot
3
G/M3 Gram/ meter P P LB/GAL Pound/U.S. gallon
3
KG/CM3 Kilogram/cm P P LB/IGAL Pound/Imp.gallon
KG/LIT Kilogram/liter LB/BBL Pound/API barrel
3
KG/M3 Kilogram/meter P P
2
Class: ENERGY P P

J Joule FTLB Foot-pound
KJ Kilojoule BTU British thermal unit
CAL Calorie CHU Centigrade heat unit
KCAL Kilocalorie PCU Pound centrigrade unit
GCM Gram-centimeter KWH Kilowatt-hour
KGM Kilogram-meter
3
Class: SPECIFIC ENTHALPY P P

J/G Joule/gram J/KG Joule/kilogram
KJ/G Kilojoule/gram KJ/KG Kilojoule/kilogram
MJ/G Megajoule/gram MJ/KG Megajoule/kilogram
CAL/G Calorie/gram CAL/KG Calorie/kilogram
KC/G Kilocalorie/gram KC/KG Kilocalorie/kilogram
BTU/LB Btu/pound CHU/G CHU/gram
CHU/K CHU/kilogram CHU/LB CHU/pound
PCU/G PCU/gram PCU/KG PCU/kilogram
PCU/LB PCU/pound
1
P P Specific volumes are on a mole basis with units of volume/wt-mole.
2
PInternational Steam Table (IT) calorie, not the Thermochemical calorie. One IT calorie = 1/860
P
Watt/hour = 1.000654 Thermochemical calories.

3
P Activation energy for reactions is always provided in thousands of energy units per mole units. Use
P
the specific enthalpy keyword qualifiers to specify the units of activation energy.

Table 4.2
Class: HEAT TRANSFER COEFFICIENT
2 2
KW/MK Kilowatt/meter -K P P KJ/H Kj/hour-meter -K P P
2 2
KC/H Kcal/hour-meter -C P P BTU/H Btu/hour-foot -F P P
Class: FOULING COEFFICIENT

2 2
MK/KW Meter -K/kilowatt
P P HMK/K Hour-meter -K/Kj P P
2 2
HMC/K Hour-meter -C/Kcal
P P HFF/B Hour-foot -F/Btu
P P
Class: HEAT CAPACITY

J/G Joule/gram-K KC/K Kcalorie/kilogram-C
CAL/G Calorie/gram-C BTU/L Btu/pound-F
KJ/K Kjoule/kilogram-K
Class: HEAT EXCHANGER CONFIGURATION
KW/K Kilowatt/K KJ/HK KJ/hour-K
KC/HC Kcal/hour-C BTU/HF Btu/hour-F

Table 4.2
1
Class: Work or DUTY (Muliply values by 1,000,000 for DUTY) P P
WATT Watt KGM/S Kg-meter/second

J/S Joule/second KGM/M Kg-meter/minute
J/M Joule/minute KGM/H Kg-meter/hour
J/H Joule/hour KGM/D Kg-meter/day
J/D Joule/day FTLB/S Foot-pound/second
KW Kilowatt FTLB/M Foot-pound/minute
KJ/S Kilojoule/second FTLB/H Foot-pound/hour
KJ/M Kilojoule/minute FTLB/D Foot-pound/day
KJ/H Kilojoule/hour BTU/S Btu/second
KJ/D Kilojoule/day BTU/M Btu/minute
CAL/S Calorie/second BTU/H Btu/hour
CAL/M Calorie/minute BTU/D Btu/day
CAL/H Calorie/hour CHU/S CHU/second
CAL/D Calorie/day CHU/M CHU/minute
KC/S Kilocalorie/second CHU/H CHU/hour
KC/M Kilocalorie/minute CHU/D CHU/day
KC/H Kilocalorie/hour PCU/S PCU/second
KC/D Kilocalorie/day PCU/M PCU/minute
GCM/S Gram-cm/second PCU/H PCU/hour
GCM/M Gram-cm/minute PCU/D PCU/day
GCM/H Gram-cm/hour HP Horsepower
GCM/D Gram-cm/day
Class: MASS FLOW RATE
G/S Gram/second LB/S Pound/second
G/M Gram/minute LB/M Pound/minute
G/H Gram\hour LB/H Pound/hour
G/D Gram/day LB/D Pound/day
KG/S Kilogram/second MLB/S 1000 pounds/second
KG/M Kilogram/minute MLB/M 1000 pounds/minute
KG/H Kilogram/hour MLB/H 1000 pounds/hour
KG/D Kilogram/day MLB/D 1000 pounds/day
TM/S Metric tonne/second TL/S Long ton/second
TM/M Metric tonne/minute TL/M Long ton/minute
TM/H Metric tonne/hour TL/H Long ton/hour
TM/D Metric tonne/day TL/D Long ton/day
TS/S Short ton/second KTM/S 1000 Metric tons/second
TS/M Short ton/minute KTM/M 1000 Metric tons/minute
TS/H Short ton/hour KTM/H 1000 Metric tons/hour
TS/D Short ton/day KTM/D 1000 Metric tons/day
1
P

Table 4.2
Class: MOLE FLOW RATE
GMOL/S Gram-mole/second LBM/S Pound-mole/second

GMOL/M Gram -mole/minute LBM/M Pound-mole/minute
GMOL/H Gram -mole/hour LBM/H Pound-mole/hour
GMOL/D Gram -mole/day LBM/D Pound-mole/day
KGM/S Kg-mole/second MLBM/S 1000 Pound-mole/second
KGM/M Kg-mole/minute MLBM/M 1000 Pound-mole/minute
KGM/H Kg-mole/hour MLBM/H 1000 Pound-mole/hour
KGM/D Kg-mole/day MLBM/D 1000 Pound-mole/day
MKGM/S 1000 Kg-mole/sec TSM/S Short Ton-mole/second
MKGM/M 1000 Kg-mole/min TSM/M Short Ton-mole/minute
MKGM/H 1000 Kg-mole/hour TSM/H Short Ton-mole/hour
MKGM/D 1000 Kg-mole/day TSM/D Short Ton-mole/day
KTMM/S 1000 Metric Ton-mole/sec TLM/S Long Ton-mole/second
KTMM /M 1000 Metric Ton-mole/min TLM/M Long Ton-mole/minute
KTMM /H 1000 Metric Ton-mole/hour TLM/H Long Ton-mole/hour
KTMM /D 1000 Metric Ton-mole/day TLM/D Long Ton-mole/day
Class: VOLUMETRIC FLOW RATE
The following volume rates are available as either liquid or vapor (gas) volume rates.
Liquid volume is the default. Use the GV qualifier to specify gas volume rates
3 3
M3/S Meter /second
P P FT3/S Feet /second
P P
3 3
M3/M Meter /minute
P P FT3/M Feet /minute
P P
3 3
M3/H Meter /hour
P P FT3/H Feet /hour
P P
3 3
M3/D Meter /day
P P FT3/D Feet /day
P P
3
L/S Liter/second MFT3/S 1000 Feet /second
P P
3
L/M Liter/minute MFT3/M 1000 Feet /minute
P P
3
L/H Liter/hour MFT3/H 1000 Feet /hour
P P
3
L/D Liter/day MFT3/D 1000 Feet /day
P P
GAL/S U.S. gallon/second IG/H Imp. gallon/hour

GAL/M U.S. gallon/minute IG/D Imp. gallon/day
GAL/H U.S. gallon/hour BBL/S API barrel/second
GAL/D U.S. gallon/day BBL/M API barrel/minute
IG/S Imp. gallon/second BBL/H API barrel/hour
IG/M Imp. gallon/minute BBL/D API barrel/day

Table 4.2
1
Class: THERMAL CONDUCTIVITY P P
W/MK Watt/meter-Kelvin CAL/S Calorie/sec-cm-C

W/MC Watt/meter-Celsius CAL/H Calorie/hr-meter-C
KW/MK Kilowatt/meter-K KC/H Kcalorie/hr-meter-C
KW/MC Kilowatt/meter-C BTU/H Btu/hr-foot-F
Class: VISCOSITY
CP Centipoise K/MD Kilogram/meter-day

POISE Poise LB/FS Pound/foot-second
PAS Pascal-second LB/FM Pound/foot-minute
K/MS Kg/meter-second LB/FH Pound/foot-hour
K/MM Kg/meter-minute LB/FD Pound/foot-day
2
K/MH Kilogram/meter-hour LBS/F Pound-second/foot P P
Class: KINEMATIC VISCOSITY

CST Centistoke ST Stoke
IN/S Inch/second
Class: SURFACE TENSION
G/CM Gram/centimeter N/M Newton/meter
DYNE Dyne/centimeter PDL/I Poundal/inch
Class: DIPOLE MOMENT

DEB Debye EU Electrostatic Unit
COUL Coulomb-meter
Class: BASIS

M Mole basis LV(aliasV) Liquid Volume basis
WT (alias W) Weight basis GV Gas volume basis
1
P

Table 4.2
Class: PHASE

M Mixed W Decant (water)
L Liquid S Solid
V Vapor
Class: FRACTION
FRAC Fraction PPM Parts per million
PCT Percentage

5 – GENERAL DATA
U
Keyword Summary
Heading Statement (required)
TITLE{NEWFILE= fileid, OLDFILE= fileid, CASEID= caseid},
{PROJECT= text, PROBLEM= text, USER= text},
{DATE= text, SITE= siteid}
Dimensional Units (required)

The individual defaults shown here are based on ENGLISH units. See Table 5.1 for
METRIC and SI defaults.
DIMENSION ENGLISH or METRIC or SI,
U U
TEMP= F, PRES= PSIA, WT= LB,

TIME= HR, LENGTH= FT, FLENGTH= IN,
ENERGY= BTU, WORK= HP, DUTY= BTU/HR,
HTCOEF=BTU/HR, FOUL=HFF/B,
CONDUCT=BTU/HR,
VISCOSITY= CP, SURFACE= D/CM,
LIQVOL= FT3,
VAPVOL= FT3, SPVOL= FT3/LB, SPVVOL= FT3/LB,
DENSITY= LB/FT3,
XDENSITY=API or SPGR or DENSITY,
PBASIS(PSIA)= 14.696,
STDVAP(FT3/LB)= 379.49
or
STDTEMP(F)=60 and STDPRES(ATM)=1.0
OUTDIMENSION ENGLISH or METRIC or SI, ADD or REPLACE,
U U U U

CONDUCT= BTU/HR,
LIQVOL= FT3,
DENSITY= LB/FT3,
U U
STDVAP(FT3/LB)=379.49
or
{ } entries are optional ( ) keyword qualifiers values given are defaults

underlined keywords are default.
Chapter 5 GENERAL DATA 33

Calculation Options (optional)
CALCULATION TRIALS= 20, RECYCLE= ALL or TEAR, U U
TVPBASIS(F)= 100,
RVPBASIS= APINAPHTHA or APICRUDE or P323 or
U U
D323 or D4953 or D5191,

{INCHECK}, COMPCHECK=CALC or INPUT, U U
MAXOPS= 1,000,000, {CDATA=VARIABLE}

FLASH=DEFAULT or VER5 or ALTERNATE
U U
TOLERANCE STREAM= 0.01, -1.0, 0.01, 0.01,

TEMP= -0.1, PRES= 0.005, DUTY= 0.001,
MISC= 0.003
FLASH=0.000003
SEQUENCE SIMSCI or PROCESS or ASENTERED or
U U
DEFINED=uid, uid, uid ...

SCALE STREAM=sid, RATE (M or WT or LV or GV)=value, U U
{COMP=i,j}
CHECK SOLID
Printout Options (optional)

DESCRIPTION text
PRINT INPUT= ALL or PART or NONE or COMPONENT, U U
THERMO, SEQUENCE, REFPROP, RPIN,RPBO,

STREAM= ALL or COMPONENT or SUMMARY or NONE,
U U
RATE= M, WT, LV, GV, {FRACTION= M, WT, LV, GV},

U U
{PERCENT= M, WT, LV, GV}, {TBP, WTFRAC},

{TRIAL=1 or 100},{KVT1(tunit)=temp1,
KVT2(tunit)=temp2},
{MBALANCE, CPTIME, CAPTURE, INTERMEDIATE},
WIDTH= 80 or WIDTH=120 or 132, PLENGTH= 60,
U U U U
NOWARNING, SEQMAP
DBASE DATA= {PC1}, {SEQUENCE, STREAM, PETRO,
PROFILE, PDS or ALL}
Exergy Analysis (optional)

EXERGY {TZERO(unit)=value}, {PZERO(unit)=value}
General Information
General Data is always the first category of data in a keyword input file. With the exception
of the TITLE statement, all statements in this category are optional.
Input requirements for restarting a problem differ from those described here. Refer
to Section 18.1, Restart, for instructions in using the problem restart facilities.

Data supplied in this section acts as global defaults for the problem as a whole. For
example, dimensional units declared here affect all input data that follow. Similarly, the
calculational options apply to all unit operations, streams, or recycle loops. Printout
options modify the reports of results for all streams and unit operations.
Specific data supplied later in the input file may override many of the General Data options
that act as default settings. For example, most entries that define numeric data allow
qualifiers that specify the dimensional units used for input. The dimensions declared on
the DIMENSION statement apply only when such qualifiers are omitted.
Calculation options provide alternative approaches for obtaining solutions to problems.
Tightening tolerances may achieve a solution to a difficult simulation that otherwise fails.
On the other hand, loosening the tolerances may save substantial computer time for a
less rigorous application. The SEQUENCE statement often allows the decomposing of a
complex flowsheet into manageable pieces without extensive modification to an input file,
and allows for the selection of alternate sequencing techniques.
The SCALE statement is used to scale a selected product stream to a desired flowrate.
Other streams and unit operations are scaled accordingly.
Input Description
TITLE{NEWFILE= fileid, OLDFILE= fileid, CASEID= caseid},
{PROJECT= text, PROBLEM= text, USER= text},
{DATE= text, SITE= siteid}
The TITLE statement is always the first statement in an input file. Keyword TITLE must be
the first entry on the statement; all other entries are optional.
NEWFILE, These entries are used in conjunction with the restart

OLDFILE feature. See Section 18.1, Restart.
CASEID This entry is used with the case study feature. See Section
18.2, Case Study.
PROJECT, Each of these entries is optional but if used, the supplied
PROBLEM, text appears as part of the heading on each page of the
USER, results printout. Each entry allows up to 12 characters of
DATE alphanumeric text, including embedded blanks but
excluding delimiters. The DATE field allows slashes, so a
date may appear in the form “1/1/05”. If DATE is omitted,
PRO/II reads and reports the computer system date.
SITE When using the optional SimSci Royalty Program, the SITE
entry identifies the operating site or department that
accrues charges for running PRO/II. Otherwise, the SITE
entry is ignored. Refer to the PRO/II Installation Guide for
more information about the SimSci Royalty Program.

Dimensional Units (optional)
DIMENSION ENGLISH or METRIC or SI,
U U

CONDUCT=BTU/HR,
LIQVOL= FT3,
DENSITY= LB/FT3,
PBASIS(PSIA)= 14.696,
STDVAP(FT3/LB)= 379.49
or
The DIMENSION statement defines the default dimensional units used for problem input.
The ENGLISH, METRIC, and SI keywords each select a complete predefined system of
dimensional units, as shown in Table 5.1. PRO/II uses the ENGLISH system of units for
program input when the DIMENSION statement is missing.
Defining a mixed system of units is possible by selecting a predefined system (ENGLISH,
METRIC, or SI) and then using appropriate keywords to override individual dimensional
units. Table 4.2 contains a complete list of keywords for all available dimensions of each
dimensional class. For example, to use the SI system of units with temperature input in
degrees Celsius and time in minutes, use:
DIMENSION SI, TEMP=C, TIME=MINUTE
For displaying dimensional units of measure, the user should note that the following output
report conventions apply:
1. For ENGLISH units of measure, thousands (i.e., 103) of units are labeled as “M”,
P P
while millions of units (i.e., 106) are labeled as “MM”.

P P
2. For SI or METRIC units of measure, thousands (i.e., 103) of units are labeled as
P P
6
“K*”, while millions of units (i.e., 10 ) are labeled as “M*”.
P P

Table 5.1
Systems of Default Dimensional Units
Units Class ENGLISH METRIC SI
Temperature F C K
Pressure psia kg/cm2 P P kPa
Weight lb kg kg
Time hr hr hr
Length ft m m
Fine Length in mm mm
Velocity ft/sec m/sec m/sec
Energy Btu kcal kJ
Work hp kW kW
Duty 106 Btu/hr P P106 kcal/hr P P 106 kJ/hr
P P
Heat Transfer Coefficient Btu/hr-ft2-F kcal/hr-m2-C

P P P P kW/m2-K P P
Thermal Conductivity Btu/hr-ft-F kcal/hr-m-C W/m-K

Viscosity cp cp Pa-sec
Surface Tension dyne/cm dyne/cm N/meter
Liquid Volume ft3 P P m3 P P m3
P P
3
Vapor Volume ft P P m3 P P m3
P P
Specific Volume,
3 3 3
Liquid ft /lb
P P m /kg P P m /kg
P P
3
Vapor ft /lb
P P m3/kg P P m3/kg
P P
3
Vapor Density lb/ft kg/m3
P P P P kg/m3 P P
Petro Density API gravity kg/m3 P P kg/m3 P P
In later sections of input, certain keywords allow qualifiers (selected from Table 4.2) that
override the dimensions declared on the DIMENSION statement. Such overrides apply
only to the input values supplied by the specific data entry that declares the override.
Problem output ignores these override dimensions, and consistently reports results in the
dimensions specified on the DIMENSION and/or OUTDIMENSION statement (or set by
default). For example:
TTITLE DIMENSION SI, TEMP=C
...
OPERATION TEMP(F)= 200, PRES(ATM)= 1.0
...
In this case, the SI unit of pressure is kiloPascal (PRES=KPA), with temperature in
degrees Kelvin (see Table 5.1). The “TEMP=C” entry on the DIMENSION statement
redefines the default temperature unit as degrees Celsius. The OPERATION statement
includes “TEMP(F)= 200” and “PRES(ATM)= 1.0” that supply a temperature of 200 F and
a pressure of 1.0 atmosphere (refer to Table 4.2 for available options). These local
overrides do not apply to any other data entries.

See Section 4, Dimensional Units, for a complete description of all dimensions available
for use within PRO/II.
DENSITY This defines the units of measure for density input data.
The default for English units of measure is lb/ft3.
XDENSITY This defines the basis of the DENSITY entry (API — the
default, SPGR — specific gravity, or DENSITY).
These two entries, DENSITY and XDENSITY, are linked. For English
units of measure, XDENSITY overrides DENSITY, i.e., values input for DENSITY
will be taken as API unless the XDENSITY keyword is changed to DENSITY.
When XDENSITY is set to DENSITY, you can adjust the density units for input
density values by changing the DENSITY keyword unit options. For SI and Metric
units of measure, values input for DENSITY will be taken to be in the units
specified by the DENSITY entry.
PBASIS This defines the standard atmosphere of pressure used as
the basis for converting between gauge and absolute
pressure. The equation used is:
P(absolute) = P(gauge) + PBASIS

By default, PBASIS = 14.696 psia
STDVAP This entry defines the standard volume occupied by one
mole of vapor at standard temperature and pressure. By
default, this value is 379.49 cubic feet per pound-mole at
60 F, 1.0 atmosphere for ENGLISH units, or 22.414 cubic
meters per kilogram-mole at 0.0 C, 1.0 atmosphere for
METRIC or SI units.
The following two keywords define the standard vapor conditions.
STDTEMP and/or If STDVAP is not given, and either STDTEMP or
STDPRES STDPRES or both are given, the standard molar vapor
volume is calculated at the new standard conditions.
STDPRES defaults to 1.0 atmosphere. STDTEMP
defaults to 60 F (ENGLISH) or 0.0 C (METRIC, SI).
OUTDIMENSION ENGLISH or METRIC or SI, ADD or REPLACE,
U U U U

CONDUCT= BTU/HR,
LIQVOL= FT3,

DENSITY= LB/FT3,
U U
STDVAP(FT3/LB)=379.49
or
The OUTDIMENSION statement selects the dimensional units used to report results.
When no OUTDIMENSION statement appears in the keyword file, PRO/II prints results in
the units used for problem input as defined in the DIMENSION statement.
ADD The ADD keyword instructs PRO/II to generate a report in the
default units, and an additional report using the dimensional units
specified on the OUTDIMENSION statement. This is the default
when an OUTDIMENSION statement is given.
or The REPLACE keyword on the OUTDIMENSION statement reports
REPLACE all results in the dimensions defined on the OUTDIMENSION
statement. This replaces the default report that prints results in the
dimensions used for problem input.

CALCULATION TRIALS= 20, RECYCLE= ALL or TEAR, U U
TVPBASIS(F)= 100,
RVPBASIS= APINAPHTHA or APICRUDE or P323 or
U U
D323 or D4953 or D5191,

{INCHECK}, COMPCHECK=CALC or INPUT, U U
MAXOPS= 1,000,000, {CDATA=VARIABLE}

FLASH=DEFAULT or VER5 or ALTERNATE
U U
This optional statement specifies default options for the entire run.
TRIALS The TRIALS entry globally limits the number of iterations through
each recycle loop. The default value is 20. See Section 17.4,
Recycle, for information on setting the iteration limits separately for
each recycle.
RECYCLE This entry allows selection of the recycle streams considered to
determine calculational convergence. The available options are:
ALL All streams must meet convergence criteria to reach
a successful solution of the problem.
TEAR Only recycle tear streams must meet the
convergence criteria to reach a solution.
TVPBASIS This entry is relevant only when True Vapor Pressure calculations
are requested; otherwise, it is ignored. The argument value defines
the default temperature used as the basis for computing TVP.
RVPBASIS This entry is relevant only when Reid Vapor Pressure calculations
are requested; otherwise, it is ignored. The available methods are:

APINAPHTHA This method calculates RVP from the API Data
Book Figure 5B1.1. This is the default method.
APICRUDE This method calculates RVP from the API Data
Book Figure 5B1.2.
P323 This method calculates RVP using the ASTM
D323-79 rigorous simulation procedure.
D323 This method calculates RVP using the ASTM
D323-94 rigorous simulation procedure. This
method requires the presence of air in the
component list.
D4953-91 rigorous simulation procedure. It is
intended to provide a consistent method for
handling gasoline oxygenates. This method
requires air in the component list.
D5191-91 rigorous simulation procedure. This
method requires air in the component list.
INCHECK Presence of this keyword prevents any calculations from occurring.
All input processing and checking proceeds normally, generating
error messages for any invalid data found in the input file. No
further action occurs, and program execution terminates.
COMPCHECK Presence of this keyword selects the option for checking if
components are compatible with the thermodynamic methods
and/or unit operations. The available options are:
CALC Check is made as each thermodynamic method
or unit operation is used. Only components
with non-zero values are checked. This is the
default.
INPUT Check at input processing only.
For example, if thermodynamic requires ENTHALPY(S), and data
is not available, this will be flagged as an error during INPUT
processing only if COMPCHECK=INPUT is enabled.
This will test whether components contain sufficient data to

work with solid handling unit operations. It may be necessary to
switch the default data bank to SIMSCI on the LIBID statement in
the Component Data Category to pass this test.
MAXOPS This entry sets the maximum number of unit operations and
branching decisions made during calculation time. The purpose of
this feature is to protect against infinite or essentially infinite
calculational loops. Very large input files with many unit operations

and calculational loops may encounter the default limit of
1,000,000. If that occurs, increase the limit and run again.
CDATA This entry enables the various thermodynamic methods to have
different component properties.
FLASH This entry selects the flash algorithm to be used throughout your
entire simulation. The available options are:
DEFAULT This entry uses the most current algorithm

implemented beginning with PRO/II v. 5.5. It
allows the user to adjust the flash tolerance. This
is the default method.
VER5 This entry selects the default algorithm available
in PRO/II v. 5.11 and earlier. This method
provides for the duplication of previous solutions.
In general, the DEFAULT method solves to a
tighter tolerance and is recommended over the
VER5 method.
ALTERNATE This entry selects an alternative flash algorithm,
which is recommended when the DEFAULT
method fails, especially when two liquid phases
are expected.
Tolerances (optional)
Many of the calculations in PRO/II are iterative, and require certain relationships to be
satisfied within specified tolerances to reach a solution. Some of the tolerances, such as
those for flash calculations, are built into the program. Tolerances for column calculations,
product and unit performance specifications, and recycle convergence may be specified
here. Defaults are provided for each of these tolerances. Individual tolerance values may
be provided for columns (Section 12.1), generalized specifications (Section 10.4), and
recycle loops (Section 17.4).
TOLERANCE STREAM= 0.01, -1.0, 0.01, 0.01,
TEMP= -0.1, PRES= 0.005, DUTY= 0.001,
MISC= 0.003
FLASH=0.000003
This statement is optional. All specification tolerances may be expressed on either an
absolute or relative basis. All except temperature default to a relative tolerance. To
override a default tolerance, the following conventions are used. Positive values represent
relative tolerances, and negative values represent absolute tolerances.
S calculated − S specified ≤ absolute tolerance (5-1)
S calculated − S specified
≤ relative tolerance (5-2)
S specified
where S is the specification value.

Recycle Stream Convergence Tolerances
STREAM This entry defines the tolerances for recycle stream

convergence. The four arguments (in order) are:
1. This sets the component balance error tolerance. The default is 0.01.
2. This sets the stream temperature error tolerance. The default is -1.0 F. (The negative
value indicates an absolute tolerance of 1.0 F or equivalent.)
3. This sets the threshold for trace components. Components having a molar fraction
less than this value are not considered in the error evaluation. The default is 0.01 of
total stream composition.
4. This sets the stream pressure error tolerance. The default is 0.01.
Convergence on a recycle stream is reached when changes in its component rates,
temperature, and pressure fall within specified tolerances. Components, having a mole
fraction greater than “c”, are only checked.
C lt,r − C lt,−r1
MAX t
≤ tolerance " a" for all components with xlt,r ≥ , " c"
C l ,r
(5-3)
Trt − Prt −1 ≤ tolerance " b" (5-4)
PrT − Prt −1
≤ tolerance " d " (5-5)
Prt
where:
C lt,r = moles of component i in recycle stream r at trial t,
xlt,r = corresponding mole fraction
Trt = temperature of stream r at trial t
PrT = pressure of stream r at trial t
Example: TOLERANCE STREAM= 0.05, , 0.02

This statement sets the recycle component error tolerance to 5 percent for all components
having a molar concentration greater than two percent.

Specification Tolerances
TEMP This sets the absolute error tolerance for unit operation
temperature specifications. The default is -0.1.
PRES This sets the absolute error tolerance for unit operation
pressure specifications. The default is 0.005.
DUTY This sets the absolute error tolerance for heater or cooler
duty specifications. The default value is 0.001.
MISC This sets the error tolerance on all other types of
specifications, including unit operation parameter
specifications. The default is 0.003.
The absolute temperature, pressure, or duty tolerances are given in the current
units of measure.
TOLERANCE FLASH=0.000003
FLASH This sets the global error tolerance when the DEFAULT
flash algorithm option is used. There are several embed-
ded convergence loops in the PRO/II flash algorithm. Each
level uses this value to set an appropriate tolerance. A
tighter tolerance tends to increase CPU time and, if tight-
ened too much, will result in flash failures. A looser toler-
ance will solve the flash faster but may result in noisy
derivatives for the controllers, optimizers, and recycle con-
vergence algorithms.
This entry is not valid if either the VER5 or the ALTER-
NATE methods are used. In these cases the user cannot
change the tolerance of the flash unit operation.
Scale (optional)
SCALE STREAM=sid, RATE (M or WT or LV or GV)=value,
U U
{COMP=i,j}
This optional statement allows the user to scale a selected product stream to a desired
flowrate. All other streams are scaled accordingly. PRO/II will also scale most of the unit
operations in the flowsheet. However, Table 5.2 gives the unit operations that will not be
scaled by PRO/II.

Table 5.2
Non-SCALEable Unit Operations
PIPE FILTERING CENTRIFUGE
DEPRESSURING DISSOLVER
PLUGFLOW REACTOR CRYSTALLIZER
HXRIG COLUMNS WITH
ROTARY DRUM FILTER HYDRAULICS
PRO/II will generate an input error if any of the unit operations shown in Table 5.2
are present in a flowsheet that also includes a SCALE statement.
Sequencing (optional)
SEQUENCE SIMSCI or PROCESS or ASENTERED or
U U
DEFINED=uid, uid, uid ...

This optional statement allows the user to define the sequence in which unit operation
calculations are performed to reach a solution to the problem.
SIMSCI This is the default sequencing method. It uses improved,

state-of-the-art algorithms developed by SimSci to deter-
mine the best sequence for calculational purposes.
PROCESS This method originally appeared in the PROCESS (the
predecessor of PRO/II) simulation program. It
determines the sequence based partially on the order in
which the unit operations appear in the input file.
Before simulating a large flowsheet using either the PROCESS or SIMSCI

sequencing methods, it is suggested that the INCHECK keyword be first used on the
CALCULATION statement and the INPUT=SEQUENCE option selected on the PRINT
statement in the General Data Category. The user can then provide estimates for the tear
streams identified by this initial step before re-running the problem.

ASENTERED This is selected when the user wishes to execute the unit
operations in the exact order listed in the Unit Operation
Category.
DEFINED This is selected when the user wishes to define the order
in which the unit operations should be executed. If this
keyword is selected, the calculation sequence of unit
operations (uid, uid, ...) must be selected. Any units
omitted from the list will be excluded from the flowsheet
calculations.
The format prior to PRO/II version 3.3 for this feature was
SEQUENCE uid, uid, ...
This is still accepted and is equivalent to
SEQUENCE DEFINED = uid, uid
If the SEQUENCE statement is omitted from the input file, PRO/II uses the PROCESS
sequencing method. Note that if the ASENTERED or DEFINED keywords are selected,
PRO/II never overrides the SEQUENCE unit operation order, even if it is incorrect.
Example: A PRO/II keyword file is coded as follows:
TITLE
SEQUENCE DEFINED=HX2, C1, F1
...
UNIT OPERATIONS
FLASH UID=F1
...
HX UID=HX2
...
COLUMN UID=C1
...
SPLITTER UID=SP1
If the SEQUENCE statement is omitted, the calculational sequence is F1, HX2, C1, SP1,
which is chosen by the default PROCESS method.
If the SEQUENCE statement is given, the calculated sequence is HX2, C1 and F1. The
splitter, SP1, is skipped.
This feature is useful for exploring alternate flowpaths and zooming in on small subsets of
larger flowsheets without disassembling the input file.
Solid Checking (optional)

CHECK SOLID
The CHECK statement is used to request checking for the presence of solids in
hydrocarbon and hydrocarbon/water mixtures. When this option is selected, PRO/II
checks each stream in the final flowsheet solution. Solids forming components tested
includes: CO2, H2S, and Benzene.

Solids are reported as percent of total stream. Thus, if the stream is 80 moles H2S and 20
moles CO2, 20 percent solid means all the CO2 is solid.
Printout Options (optional)

DESCRIPTION {text}
Each keyword file allows up to ten DESCRIPTION statements, each containing descriptive
text in the first 80 columns. Text entered on the DESCRIPTION statement appears on the
first page of the results printout. Each statement begins with the keyword DESCRIPTION
followed by a space. Any text may follow, including embedded blanks and delimiters.
Each DESCRIPTION statement defines a single line of text, and continuation

onto subsequent lines is not possible. Ampersands and asterisks only represent text, and
do not indicate continuation on subsequent lines. Each line of descriptive text must appear
on a separate DESCRIPTION statement.
PRINT INPUT= ALL or PART or NONE or COMPONENT,
U U
THERMO, SEQUENCE, REFPROP, RPIN,RPBO,

STREAM= ALL or COMPONENT or SUMMARY or NONE,
U U
RATE= M, WT, LV, GV, {FRACTION= M, WT, LV, GV},

U U
{PERCENT= M, WT, LV, GV}, {TBP, WTFRAC},

{TRIAL=1 or 100},{KVT1(tunit)=temp1,
KVT2(tunit)=temp2},
{MBALANCE, CPTIME, CAPTURE, INTERMEDIATE},
WIDTH= 80 or WIDTH=120 or 132, PLENGTH= 60,
U U U U
NOWARNING, SEQMAP
The PRINT statement provides many options that control printout by suppressing
or requesting various sections of the final report.Modification of Output
INPUT This entry controls the reprinting of input data. Options

include:
NONE When used, NONE disables all other
printout options on the INPUT entry.
or This is the default. It prints the
PART COMPONENT input and SEQUENCE
summaries.
or Prints the COMPONENT, THERMO, and
ALL SEQUENCE summaries.
COMPONENT Presence of this keyword prints data for
all defined pure components.
THERMO This option reprints all data supplied in the
Thermodynamic Data Category of input.
SEQUENCE This option prints the unit operation
calculation sequence.

REFPROP This option reprints the special refinery
property values input by the user.
RPIN This option reprints the special refinery
properties generated by PRO/II or those
supplied by the user.
RPBO This option reprints the special refinery
properties generated by PRO/II and input
by the user.
STREAM This entry can suppress sections of stream results printout.
By default, all sections of stream results are printed. Options
include:
ALL This option prints all standard stream
component rates and stream summary
report (default).
or This prints the stream component rates
COMPONENT report, but deletes the stream summary
report.
or This prints the stream summary report,
SUMMARY but deletes the stream component rates
report.
or This deletes all reports of stream data
NONE from the results printout.
RATE This prints stream component flow rates on a mole (M),
weight (WT), liquid volume (LV), or gas volume (GV) basis.
Specifying more than one basis results in multiple reports.
The default report is on a mole basis only.
FRACTION This prints stream component fractions on a mole (M),
PERCENT This prints stream component percentages on a mole (M),
TBP Presence of this keyword prints ASTM and TBP distillation

reports for all appropriate streams in the flowsheet.
WTFRAC This option causes each unit operation to print additional

results on a weight basis, as if solids were present, even
when no solids appear in the flowsheet.

TRIAL This option prints intermediate stream compositions for all
recycle loop streams at every trial through the loop if the
value given is 1. This is the default if no value is given. If a
value of 100 is given, the comprehensive recycle
convergence tables are given for recycle tear streams only
at every loop iteration. If the TRIAL keyword is not given, no
intermediate results are given.
KVT1, KVT2 These entries provide the default reference temperatures (t1
and t2) for KVIS output.
MBALANCE This option reports the overall mass balance on both molar
and weight bases.
CPTIME This option reports the CPU time required for each unit
operation.
CAPTURE This option writes a full report of the calculational path used
during flowsheet convergence to the history file. If omitted,
only a partial trace is produced.
INTERMEDIATE When selected, this option captures the Calculation history
and interleaves it with the intermediate printout.
WIDTH This entry controls the width of the page used for printout.
The options are 80, 120 or 132 columns wide. By default, a
page width of 80 columns is used. If the WIDTH keyword
appears without an argument, the page width is 132
columns.
PLENGTH The PLENGTH entry controls the maximum number of lines
printed on a page. It does not define the physical length of
the page. Any number of lines greater than zero may be
specified. The default is 60.
NOWARNING This entry will suppress all the warning messages in the
output.
SEQMAP This optional keyword generates an ASCII line diagram in
the output report that displays the calculation order of all the
units and the recycle loops used in the solution of the
flowsheet.
Data Base Files (optional)

DBASE DATA= {ALL or SEQUENCE, STREAM, PETRO,
PROFILE, PDS}, {PC1}
The DBASE statement writes selected data to files that may be used for a variety of
purposes. Data files are named using the convention “fileid.suf”, where “fileid” is the same
as the current problem input file, and the suffix “.suf” is a character string automatically
generated by PRO/II.

PRO/II automatically generates and appends the appropriate suffix to the files
generated by the DBASE statement. On a personal computer running in the DOS
environment, the PC1 option generates a file having the suffix “.ASC”. All other options
write data to a file having the suffix “.P2I”. The suffix appended by PRO/II to the file name
may vary on different computers.
Two data files may be created, depending on the options selected using the DATA entry.
Briefly, these files have the following intended uses.
fileid.P2I This file is created whenever any of the SEQUENCE,

PETRO, STREAM, PROFILE, or PDS options are selected.
The file is a readable text file. When any of the DATA entry
options SEQUENCE, PETRO, STREAM, PROFILE, or ALL
are used, the selected data are written in the image of input
statements. These statements may be inserted directly into
another PRO/II input file.
DATA This entry instructs PRO/II to generate readable ASCII files
that contains the data specified by the keyword arguments. At
least one argument is required, but several may be specified.
Using the DATA entry with no arguments produces an error.
ALL This option writes a file “fileid.P2I” containing
all data available by using the SEQUENCE,
PETRO, STREAM, PROFILE, and PDS
options.
or Generates a SEQUENCE statement
SEQUENCE
PETRO Generates PETRO, NBP, SPGR, MW, PC,
TC, and ACENTRIC statements for all pseudo
components.
STREAM Generates PROPERTY statements for all
streams.
PROFILE Generates statements defining temperature,

pressure, vapor, and liquid profiles for
distillation columns.
PDS Generates a stream data file in “Load File
Format” for importation into the Intergraph
Process Design System.
Exergy Analysis (optional)

EXERGY {TZERO(unit)=value}, {PZERO(unit)=value}

The EXERGY statement is used when exergy (availability) calculations are required. The
EXERGY keyword must be the first entry on the statement. All other entries are optional.
Exergy calculations are performed after the flowsheet has solved, and therefore
will not affect convergence.
TZERO This entry specifies the reference or “zero”

temperature to be used for the basis of exergy
comparisons. If a value is omitted, a default value of
288.89 K (or 15.74°C, or 60.33°F) is used.
PZERO This entry specifies the reference or “zero” pressure
to be used for the basis of exergy comparisons. If a
value is omitted, a default value of 1.01 bar (or 1
atmosphere, or 14.6959 psia) is used.
The availability function, B, is defined as:
B = H – TS (5-6)
where:
H = enthalpy
T = temperature
S = entropy
Energy results are provided in the output report after the Stream Summary section in the
form of two tables. The first table is the stream availability table. This table contains the
following information:
1. Stream flowrate
2. Enthalpy
3. Entropy
4. Availability at the actual stream conditions - B(EXS)
5. Availability at the reference temperature and actual stream pressure - B(TES)
6. Availability at the reference temperature and reference pressure - B(EVS)
7. Availability at a modified environmental state - B(MES)
The second table is the unit operations availability table, which contains the following
information for each unit operation:
8. Availability balance
9. External work supplied
10. Heat duty

Example
1: Determine the availability for a 50/50 mixture of normal butane and normal hexane at
100 psia that is expanded through a pressure valve to 50 psia. The reference pressure for
exergy calculations is specified as 14.7 psia.
TITLE PROB=EXERGY
EXERGY PZERO(PSIA)=14.7
COMPONENT DATA
LIBID 1,NC4/2,NC6
THERMODYNAMIC DATA
METHOD SYSTEM=SRKM
STREAM DATA
PROP STREAM=1,TEMP=100,PRES=100, &
COMP=50/50
UNIT OPERATION
VALVE
FEED 1
PROD V=2,L=3
OPERATION PRES=50


6 – COMPONENT
U
DATA
This section provides an overview of the Component Data Category. Detailed
documentation, along with examples of common usage of all the component features, is
contained in a separate document, the SIMSCI Component and Thermodynamic Data
Input Manual. Unless noted otherwise, sections referred in this chapter refer to sections in
the SIMSCI Component and Thermodynamic Data Input Manual.
Keyword Summary
Category Heading Statement (required)
COMPONENT DATA
Component Definition (conditional - Section 1.2)

LIBID i, library name, library number, alias/...,
{BANK=PROCESS, SIMSCI, DIPPR, bankid...}
U U
{FILL=SIMSCI} or { BANK=PROII_8.0:SIMSCI,
LIBRARY1:USER1, LIBRARY1:USER2, DIPPR, bankid...}
{FILL=SIMSCI}
NONLIBRARY i, name/...
{FILL=SIMSCI}
PETROLEUM i, name, MW, std liquid density, NBP/ ...
(densunit, tunit)
PHASE DEFAULT= VL or LS or S or VLS,
U U
{VL= i, j,..., LS= i, j,...,

S= i, j,..., VLS= i, j,...}
PRO II supports databank name of upto 256 characters. In which, the

databank name is of 8 characters and the combination of libraryname: databankname
should of 256 characters (maximum). The full name of a databank that is stored in the
PRO/II database will be libraryname:databankname.
Petroleum Component Characterizations (optional - Section 1.6)

ASSAY FIT= SPLINE or QUADRATIC or
U U
PDF(NONE, IP, EP, BOTH)

CHARACTERIZE= CAVETT or LK or SIMSCI, U U
MW= SIMSCI or EXTAPI or CAVETT,

U U
CONVERSION= API87 or API63, or EDOK or API94

U U
GRAVITY= WATSONK or PRE301,

U U
{TBPIP= 1, TBPEP= 98}, {NBP=LV or MID} U U

Chapter 6 COMPONENT DATA 53

CUTPOINTS TBPCUTS= to, t1, ncuts {/t , ncuts/...}, B B B B B B
{CUTSET=SIMSCI},
{BLEND=name}, {DEFAULT}
Component Definition for Synfuel Components (optional-Section

1.6)
SYNCOMP COMP#, {NAME, MW, DENS}, NBP,
{TYPE, ZNUM, CNUM}
SYNLIQ COMP#, NAME, MW, DENS, NBP, P, O, N, A
(W or V or M)
U U
Solid Attributes (optional - Section 1.7)

ATTR COMP= i, {PSD= s0, s1,...,} B B B B
GENERAL=10, {GNAME=text1,text2,...} B B B B
Component Properties (optional - Section 1.8)

Component invariant properties and constants
MW i, value/...
SPGR i, value/...
API i, value/...
NBP(unit) i, value/...
ACENTRIC i, value/...
VC(unit, M or WT)
U U i, value/...
TC(unit) i, value/...
PC(unit) i, value/...
ZC i, value/...
RACKETT i, value/...
CNUM i, value/...
ZNUM i, value/...
DIPOLE(unit) i, value/...
RADIUS(unit) i, value/...
SOLUPARA i, value/...
MOLVOL(unit) i, value/...
STDDENSITY(unit) i, value/...
HCOMBUST(unit, M or WT) i, value/...
U U
HVAPORIZE(unit, M or WT) i, value/... U U
HFUSION(unit, M or WT) i, value/... U U
NMP(unit) i, value/...
PTP(unit) i, value/...
TTP(unit) i, value/...
GHV(unit, M or WT) U i, value/...
U
LHV(unit, M or WT)
U i, value/...
U
SVTB i, value/...

SLTB i, value/...
SLTM i, value/...
HVTB i, value/...
HLTB i, value/...
HLTM i, value/...
Component invariant special properties

The special refinery properties that may be defined in the Component Data Category are
given in Table 1.8.3 of the SIMSCI Component and Thermodynamic Data Input Manual.
property(qualifier) {GAMMA=value, REFINDEX=value,
REFVALUE(unit)=value,}
DATA(unit) i,datvalue/... ,
INDEX i,indvalue/ ...
For user-defined special refinery properties:
SPROP(i) {GAMMA=1.0, REFINDEX=value, REFVALUE=value,
NAME=text},
DATA i,datvalue/... ,
The SPROP qualifier i is any integer from 1 to 9999. Up to 60 SPROP statements

may be given in any one problem.
Multi-property entries
FORMATION(V or L or S, unit, M or WT) i, enthalpy, Gibbs/...
U U U U
VANDERWAALS i, area, volume/...
Component temperature-dependent properties

General format:
<Property> (phase, tunit, propunit, M or WT)
CORRELATION= icorr,
LN or LOG or EXPFAC=ipos,
U U
DATA= i, tmax, tmin, C1, ..., C8 /... B B B B
or
TABULAR= t1, t2, ....,/i, p1, p2, ..., /...
B B B B B B B B
<Property> types may be:

VP(L or S, propunit, tunit),
U U
ENTHALPY(I or L or S, propunit, tunit, M or WT), U U
CP(propunit, tunit, M or WT) U U
LATENT( propunit, tunit, M or WT), U U
DENSITY(L or S, propunit, tunit, M or WT),

U U U U
VISCOSITY(V or L, propunit, tunit),

CONDUCTIVITY(V or L, propunit, tunit),
SURFACE(L, propunit, tunit)
U U
Component temperature dependent special properties

KVIS(M or WT or LV)
U U {GAMMA=value, REFINDEX=value,
REFVALUE(kvisunit)=value,}
DATA(tunit, kvisunit) t1, t2, /i, p1, p2, /... , B B B B B B B B
INDEX(tunit) t1, t2, /i, p1, p2, /...

B B B B B B B B
If data or index values are not supplied, the kinematic viscosity is computed using
the Twu method.
Component Structural Data for UNIFAC (Optional - Section 1.9)

STRUCTURE i, igroup(n)/...
GROUP igroup, Qj, Rj B B B B
Component Data Comments (optional)

NOTES TEXT=Notes Line
General Information
The Component Data Category defines the pure and pseudocomponents in the problem
and, if necessary, defines or modifies component properties. All components encountered
in a problem, except for assay stream components, must be defined in this Category.
Streams defined by distillation assay curves in the Stream Data Category are broken into
pseudocomponents based on the rules defined in the Component Data Category.
Using keyword input, PRO/II accepts an unlimited number of components.
PRO/II Component Library

PRO/II comes with an extensive pure component database of over 1,750 components,
tabulated in Sections 1.3-1.5. All components capable of vapor-liquid phase behavior
have sufficient information to be used with generalized K-value predictors and density
calculations. Most components have built in transport property correlations. A majority of
PRO/II simulations with pure components use this library exclusively and require no
additional pure component data. Refer to the PRO/II Reference Manual for additional
details on the structure of the pure component database and the information it contains.
Non-library Components
Components not found in the PRO/II library may be entered as NONLIBRARY
components. The format for entering user components is straightforward, however PRO/II
users who do this regularly or need help in estimating unknown required properties should
use SIMSCI’s Property Data Management functionality present in PRO/II to assist the user
in determining all necessary component properties and develop a keyword file segment in
PRO/II ready form.

Petroleum Components
PRO/II handles petroleum components using industry standard characterization
techniques. PRO/II estimates all required component data given two out of three of
molecular weight, boiling point, or gravity.
Refer to the SIMSCI Component and Thermodynamic Data Input Manual for instructions
on how to enter basic PETROLEUM data, how to change the default characterization
procedures, and entering stream assay data.
Solid Components
PRO/II handles solids with particle size distributions and user-defined attributes. See the
SIMSCI Component and Thermodynamic Data Input Manual for information on property
data requirements for solid components and associated input format. The SIMSCI
Component and Thermodynamic Data Input Manual is also used to define particle size
intervals and GENERAL attributes, and for entering actual solid component attribute
values.
Component Properties
The user may define or override component properties for all components in the
simulation. This includes components in the PRO/II component library, user-defined
components, petroleum pseudocomponents and solid forming components. The
properties include constants (such as molecular weight or critical properties), as well as
temperature dependent properties (such as enthalpies in various phase states). Where
appropriate, properties may be given on a mole or weight basis. Refer to Section 1.8 for
entering component property values.
UNIFAC Data
Section 1.9 discusses the methods for assigning UNIFAC structural groups and van der
Waals parameters for pure components. As discussed starting in Section 2.1 and in the
PRO/II Reference Manual, UNIFAC provides a means of estimating liquid activity
coefficients when actual VLE or LLE data are unavailable.
Keyword Description
Category Heading Statement (required)
COMPONENT DATA
The COMPONENT DATA statement has no entries and is required for all PRO/II
simulations.
Remaining COMPONENT Data Category Statements

The remaining Component Data Category statements are discussed in the SIMSCI
Component and Thermodynamic Data Input Manual.
Component Definition

Petroleum Component Characterizations
Solid Attributes
Component Properties
Component Structural Data for UNIFAC
Component Data Comments (optional)

The NOTES statement supplies an optional comment about the entire slate of
components used in the simulation. Refer to Object Annotation Notes in the Input
Conventions Update of this document.
TEXT This entry specifies the actual Note. The body of the Note
may be specified on multiple lines, but only the first 256
characters are stored. Additional characters are processed
and discarded.
Only one comment regarding the component slate is per-

mitted per input file.
Examples
An example of the Component Data section containing a NOTE follows.

COMPONENT DATA
NOTES TEXT= the component slate for this simulation contains
light hydrocarbons.
LIBID 1, METHANE/ 2, ETHANE/ 3, IBUTANE/ 4, BUTANE

7 – REGRESS
U
PRO/II’s REGRESS feature e may be used to produce thermodynamic property binary

interaction parameters from experimental or plant phase equilibrium data.
Keyword Summary
Data Sets (one statement required, multiple statements
allowed)
DATASET SETID=datid, {DESCRIPTION=text,}
TYPE=VLE or LLE or VLLE or HMIX or GAMMA or
PROPERTY,
FORMAT=frmkey,
{COMPONENTS=cnoi /…,}
{EXPLICIT_COMPS= cnoi /…,} =datid,
{PCONST(unit)=value,}
{TCONST(unit)=value,}
EXPDATA= val1, val2 {,val3, val4,...} /... ,
(Property in Units)
{PRVP(phase, unit)
or PRDENS(phase, unit, basis)
or PRCP(phase, unit)
or PRENTH(phase, unit, basis)
or PRLATENT(unit, basis)
or PRCOND(phase, unit)
or PRVISC(phase, unit)
or PRSURF(unit)}
(Property or Equilibrium Data in Units)
{TUNIT(unit)}
(Equilibrium Data In Units)
{PUNIT(unit)
or ENTHUNIT(unit, basis)
or VOLUNIT(unit, basis)}
Chapter 7 REGRESS 59
Analyses (one statement required, multiple allowed)
ANALYSIS ANID=anlsid, {DESCRIPTION=text,} DATAID=datid,
(Thermo Set for Equilibrium Data)
METHOD=setid{,nparam}
(Property Correlation)
or CORR=corrno{,cno},
(Equilibrium Data)
{ESTIMATE(K or KCAL or KJ or NO) =
i,j,{par1}{,{par2},{par3},....}/...
or CESTIMATE={{par1},{par2},....} & }
{AZEOTROPE(M or W, punit, tunit)=i,j,pres,temp,xi/...,}
{MUTUAL(M or W, tunit)=i,j,temp,xiI,xjII/..., }
{INFINITE(tunit)=i,j,temp,i,j/..., }
{FIX(K or KCAL or KJ or NO)={value},parno{,i,j}/...,}
{OBJECTIVE=objno, }
{ITER=50, TOLERANCE=.000001, }
{VERIFY,}{PRINT=NONE or PART or ALL, }
{STORE}
Keyword Description
Data Sets (one statement required, multiple statements
allowed)
DATASET SETID=datid, {DESCRIPTION=text,}
TYPE=VLE or LLE or VLLE or HMIX or GAMMA or
PROPERTY,
FORMAT=frmkey,
{COMPONENTS=cnoi /…,}
{EXPLICIT_COMPS= cnoi /…,} =datid,
{PCONST(unit)=value,}
{TCONST(unit)=value,}
EXPDATA= val1, val2 {,val3, val4,...} /... ,
(Property in Units)
{PRVP(phase, unit)
or PRDENS(phase, unit, basis)
or PRCP(phase, unit)
or PRENTH(phase, unit, basis)
or PRLATENT(unit, basis)
or PRCOND(phase, unit)
or PRVISC(phase, unit)
or PRSURF(unit)}
(Property or Equilibrium Data in Units)
{TUNIT(unit)}
(Equilibrium Data In Units)
{PUNIT(unit)
or ENTHUNIT(unit, basis)
or VOLUNIT(unit, basis)}

There may be an unlimited number of data sets or analyses in any one keyword file.
However, each analysis may treat only a single data set.
SETID This required entry defines the data set ID.
Dated The data set ID, a unique name for the data set, of
one to twelve alphanumeric characters.
DESCRIPTION A textual description of the data set of up to 60 characters.
TYPE This required entry defines the type of the data in the data set.
Possible values are VLE, LLE, VLLE, HMIX, GAMMA and
PROPERTY.
FORMAT This required entry defines the format of the data to be
supplied.
frmkey Valid entries for this format key are PT (Property-
Temperature) for a property correlation, or, for
equilibrium data, PTXY, TXX, PTXXY, PXY, PTX,
TXY, HTX or TXG. These codes indicate the
identity and order of the data in the columns of
experimental data (see EXPDATA keyword below).
The letters in the equilibrium data codes denote the
following data types:
P pressure
T temperature
H excess enthalpy
X liquid composition
Y vapor composition
G gamma (liquid activity coefficient)
COMPONENTS This optional entry provides the subset of components from the
COMPONENT DATA Category of input, present for the given
data set. No component designation is necessary for a
property correlation; if a component is identified, the component
name will be reported with the correlation.
For equilibrium-property data sets, the component set

will default to the whole set from the COMPONENT DATA
Category of input in the absence of this COMPONENTS
keyword.
EXPLICIT_COMPS This optional entry specifies the explicit order of composition
fractions or activity coefficients appearing in the data set as
entered with EXPDATA. This is only applicable to equilibrium
data sets. The number of explicit fractions entered can be, but
is not required to be, one less than the number of components
in the data set (with TXG data, one less is not allowed).
When EXPLICIT_COMPS is not present, the number of
components for which composition fractions are to be given
with EXPDATA defaults to the number of components in the
data set, and the component order for EXPDATA is ascending
numerical order as in the COMPONENT DATA section.
For the PTXY format, each data point of experimental

data would be laid out with EXPDATA as P, T, x6, x3, y6, y3. x2
B B B B B B B B B B
and y2 would each be calculated by difference.

B B
Example:
To indicate a ternary system for which only two composition
fractions of each type are given, you need to provide the
following statements:
….
COMP=2/3/6, EXPL= 6/3 &
...
PCONST or PCONST or TCONST sets temperature or pressure to a
TCONST constant value for every point of the data set. When one of
these keywords is used, the corresponding data column is
eliminated from the experimental data to be entered with
EXPDATA.
EXPDATA This entry provides the experimental data.
val1, val2 Data must be entered in tabular form, with
{,val3, slashes separating the rows of data. The
val4,...} columns are in the order of the corresponding
/... symbol. If data are supplied, at least two data
points must be provided.
Property type
PRVP(phase,unit) Vapor pressure
PRDENS Density
PRCP Heat capacity
PRENTH Enthalpy
PRLATENT Latent heat
PRCOND Thermal
conductivity
PRVISC Viscosity
PRSURF Surface tension
TUNIT TUNIT is used to identify units for temperatures entered in
EXPDATA. The default is the system temperature in-units. The
units specified here are also used in all tables of the report.
For Equilibrium Data and Excess Property regressions, the
correlation temperature unit is always the SimSci internal unit,
Kelvin. For Property Correlation regressions, however, the
correlation temperature unit will be influenced by the TUNIT
specification. Certain correlation types, such as a polynomial,

will use the temperature in the units as given with TUNIT. Other
types, such as those involving lnT or 1/T terms, will use the
corresponding absolute temperature, i.e., K for TUNIT C or K,
and R for TUNIT F or R.
PUNIT(unit) or These keywords are used for specifying units for pressure or
ENTHUNIT enthalpy data entered with EXPDATA for Equilibrium Data
(unit, basis) regressions. The defaults are the system in-units. With
enthalpies, only the molar basis is allowed.
Analyses (one statement required, multiple allowed)

ANALYSIS ANID=anlsid, {DESCRIPTION=text,} DATAID=datid,
(Thermo Set for Equilibrium Data)
METHOD=setid{,nparam}
or CORR=corrno{,cno},
(Equilibrium Data)
{ESTIMATE(K or KCAL or KJ or NO) =
i,j,{par1}{,{par2},{par3},....}/...
or CESTIMATE={{par1},{par2},....} & }
{AZEOTROPE(M or W, punit, tunit)=i,j,pres,temp,xi/...,}
{MUTUAL(M or W, tunit)=i,j,temp,xiI,xjII/..., }
{INFINITE(tunit)=i,j,temp,i,j/..., }
{FIX(K or KCAL or KJ or NO)={value},parno{,i,j}/...,}
{OBJECTIVE=objno, }
{ITER=50, TOLERANCE=.000001, }
{VERIFY,}{PRINT=NONE or PART or ALL, }{STORE}
Keywords ANID, DATAID and either METHOD or CORR are required. All others are
optional.
ANID This required entry defines the analysis id.
Anlsid The analysis ID, anlsid, is a unique name for the
analysis, one to twelve alphanumeric characters.
DESCRIPTION A textual description of the data set of up to 60 characters.
DATAID This required entry defines which data set will be used in the preset
example.
datid The dataset that corresponds to the desired SETID
entry in the DATASET statement.
METHOD For equilibrium data or excess property regressions, the model to
be fitted is identified in the Thermodynamic Data section of the
input file, where it is part of a thermo set. Any model with binary
parameters may be treated (see the SIMSCI Component and
Thermodyanmic Data Input Manual, sections 2.4 and 2.5).
METHOD identifies which thermo set, of possibly several, is to be
used for the present regression analysis. If the model is NRTL or
UNIQUAC, there is a choice of number of parameters. Choices
other than the default are given on the METHOD statement with
nparam.
Model Possible Number of Default

Parameters Number
NRTL 3, 5, 6, 8 5
UNIQUAC 2, 4 2
CORR With regressions for Property Correlations, CORR enables input of

the correlation number. Possible values are given in Table 17.5 of
the PRO/II Keyword Manual. Those correlations which involve
critical properties or the boiling point will require specification of the
component number, cno. If the input file involves only a single
component, cno will default to 1.
ESTIMATE(K or ESTIMATE is used for input values, usually initial estimates, for the
KCAL or KJ or binary parameters of models for Equilibrium Data or Excess
NODIME) Property regressions.
i,j,{par1} Values for each i,j binary pair, where i and j are
{,{par2}, component numbers, are separated by slashes.
{par3},
....}/... The number of parameters given for a particular
binary pair has no effect on the number of
parameters used per binary pair, this is a set value
for the model or has been specified with the
METHOD statement.
All parameters for which (1) the value is missing or
zero on the ESTIMATE statement, and for which
(2) an initial estimate is not to be calculated from
azeotrope, mutual solubility, or infinite-dilution
activity coefficient data, and for which (3) the value
is not fixed (see FIX below), will be estimated
together by the SimSci nonlinear least squares
algorithm (NONLN) in a preliminary initial
estimation step. The FIX specification cannot be
changed between the preliminary initial estimation

step and the main regression procedure.
Note that parameter values may be entered on
either the ESTIMATE or the FIX statement.
CESTIMATE CESTIMATE is used with Property Correlation regressions, both to
indicate the number of correlation parameters to use and also to
enter parameter values.
{{par1}, The number of parameters given with CESTIMATE
{par2}, will be taken as the number of correlation
....} & } parameters to use. If a CESTIMATE statement is
not present, the maximum number of parameters for
the particular correlation type will be used.
If the parameter value is missing on the

CESTIMATE statement (blanks or nothing between
commas), the parameter will be given an initial value
of zero. If the last parameter value is missing, a final
comma is required. All parameters for which the
value is not fixed (see FIX below), will be taken as
initial estimates. There is no preliminary initial
estimation step.
Note that parameter values may be entered on
either the CESTIMATE or the FIX statement.
AZEOTROPE REGRESS may calculate initial estimates for the liquid-activity
(basis, (LACT) model parameters for a given binary i,j pair from data
punit, tunit) or entered for the composition of a homogeneous azeotrope, for
MUTUAL(basis, mutual solubilities in a liquid-liquid system, or for infinite-dilution
tunit) or activity coefficients. The keyword input for this is identical to that
INFINITE(tunit) described in section 2.5 of the SIMSCI Component and
Thermodynamic Data Input Manual for each of the various LACT
methods.
These initial parameter estimates will not be affected by any

preliminary initial estimation step by the SIMSCI NONLN procedure
(see ESTIMATE above). Any of parameter estimates from
AZEOTROPE, MUTUAL or INFINITE may be fixed during the main
regression calculation (see FIX below).
FIX(K or KCAL FIX specifies which model parameters are to be held unchanged
or KJ or during the regression calculations. It may also be used to enter
NODIME) parameter values.
Data entry is based on the parameter number parno. In the case of

binary parameters, parno is the ordinal parameter number for the
given binary pair. The default for the binary pair i,j specification is
all binary pairs.
OBJECTIVE OBJECTIVE is used to specify the objective function to be
minimized in the regression. The statement is necessary only when
there are alternative objective functions available (at present, only
for Property Correlations or for PTXY data) and the user makes
other than the default choice.
The values for objno can be found in table 7.1.
N
S = ∑ ( Proplexpt −Proplcalc ) 2 (7-1)
i =1
N
S = ∑ (1.0 − Proplcalc / Proplexpt ) 2 (7-2)
i =1
N
S = ∑ (1.0 − Proplcalc / Proplexpt ) 2 (7-3)
i =1
2
N NOC ⎛ Yijcalc ⎞
S =∑ ∑ ⎜⎜1.0 − ⎟⎟ (7-4)
i =1 j =1 ⎝ Yijexpt ⎠
N ⎛ NOC ⎛ Yijcalc ⎞
2
⎛ P ⎞
2
⎞
S =∑ ⎜∑ ⎜⎜1.0 = ⎟⎟ +⎜1.0 − lcalc ⎟ ⎟ (7-5)
⎜ j =1 Yijexpt ⎜ Plexpt ⎟⎠ ⎟
i =1
⎝ ⎝ ⎠ ⎝ ⎠
2
N NOC ⎛ K ijcalc ⎞
S =∑ ∑ ⎜⎜1.0 = ⎟⎟ (7-6)
i =1 j =1 ⎝ K ijexpt ⎠

2
N NOC ⎛ K Dijcalc ⎞
S =∑ ∑ ⎜⎜ 1.0 = ⎟⎟ (7-7)
i =1 j =1 ⎝ K Dijexpt ⎠
2
2 2 ⎛ ⎞
N NOC ⎛ ′
K ijcalc ⎞ ⎛ ′′ ⎞
K ijcalc ⎜ K Dijcalc ⎟
S =∑ ∑ ⎜⎜1.0 = ⎟⎟ +⎜ 1.0 = ⎟ +⎜ 1.0 = (7-8)
i =1 j =1 ⎝ ′
K ijexpt ⎠
⎜
⎝ ′′ ⎟⎠
K ijexpt ⎜ K Dijexpt ⎟⎟
⎝ ⎠
N
S = ∑ ( H iexpt − H icalc ) 2 (7-9)
i =1
N
S = ∑ (Viexpt − Vicalc ) 2 (7-10)
i =1
2
N NOC ⎛ γ ijcalc ⎞
S =∑ ∑ ⎜⎜1.0 = ⎟⎟ (7-11)
i =1 j =1 ⎝ γ ijexpt ⎠
The objective functions available for each Data Format are as

follows:Table 7-1:
Objective Function Use
Data Type Data Format Objective
Function
Property Correlation
Property PT 1
2 (default)
Equilibrium Data
VLE PTX 3
PXY 4
PTXY 4
5 (default)
6
LLE TXX 7
VLLE PTXXY 8
GAMMA TXG 11
Excess Property
HMIX HTX 9
VMIX* VTX 10
* Data type VMIX is not yet implemented in PRO/II
ITER Maximum number of iterations allowed before the regression is

terminated. The default is 50. The ITER limit applies to each
separate call to the NONLN or ODR routines.
TOLERANCE The value to which the objective function must be reduced

before the regression problem is considered solved. The
default is 0.000001.
VERIFY VERIFY specifies that the model evaluation using the initial
parameter values is to be reported. No regression calculations
will be performed other than initial parameter calculations from
azeotrope, mutual solubility, or infinite-dilution activity
coefficient data.
PRINT PRINT controls the amount of information in the calculation
history. The PART option, which is the default, produces a
table of parameter and objective-function progress during
NONLN calculations, and a table of objective-function progress
during ODR calculations. The ALL option produces the
maximum information available.
STORE When STORE is specified, the parameter values resulting from
REGRESS will be stored with the other thermo set information
for use in a subsequent flowsheet simulation (specified in the
same keyword input file).

8 – THERMODYNAMIC
U
KEYWORD SUMMARY
This section provides an overview of the Thermodynamic Data Category. Detailed
documentation, along with examples of common usage of all the thermodynamic features,
is contained in a separate document, the SIMSCI Component and Thermodynamic Data
Input Manual. Unless noted otherwise, sections referred in this chapter refer to sections in
the SIMSCI Component and Thermodynamic Data Input Manual.
Keyword Summary
THERMODYNAMIC DATA
The METHOD Statement (required)
Selecting a Predefined System of Methods

METHOD SYSTEM(VLE or VLLE)= option,
U U
{KVALUE(SLE)= option}, {L1KEY= i and L2KEY= j},

{KVALUE(VLE or LLE or VLLE)=option,
U U
ENTHALPY=option, DENSITY=option,
ENTROPY=option}, {RVPMETHOD}, {TVPMETHOD}
{PHI= option}, {HENRY},
{PROPERTY(qualifier)=method}, {SET=setid, DEFAULT}
TRANSPORT= PURE
U U
or TRANSPORT= PURE or NONE or PETRO or TRAPP or

U U
TACITE or U1 or U2 or U3 or U4 or U5
Selecting Individual Methods

METHOD SET= setid, {DEFAULT},
KVALUE(VLE)= option, {KVALUE(SLE)=option},

U U
{KVALUE(LLE)= option}, {L1KEY= i and L2KEY= j},

{PHI= option}, {HENRY},
or
KVALUE(VLLE)= option, {L1KEY= i and L2KEY= j},
{KVALUE(SLE)= option}, {PHI= option}, {HENRY},
ENTHALPY(VL)= option U U
or ENTHALPY(V)= option and ENTHALPY(L)= option,

{RVPMETHOD}, {TVPMETHOD},
{PROPERTY=method},

Chapter 8 THERMODYNAMIC KEYWORD SUMMARY 69

DENSITY(VL)= option
U U
ENTROPY(VL)= NONE
U U
or ENTROPY(V)= option, ENTROPY(L)= option,
TRANSPORT=PURE or NONE or U U
PETRO or TRAPP or TACITE or U1 or U2 or U3 or U4 or U5

or
VISCOSITY(VL)= PURE or PETRO or TRAPP or U1 or U2 or
U U
U3 or U4 or U5
or VISCOSITY(V)= option, VISCOSITY(L)= option,
and/or
CONDUCTIVITY(VL)=PURE or U U
PETRO or TRAPP or U1 or U2 or U3 or U4 or U5
or CONDUCTIVITY(V)= option, or
CONDUCTIVITY(L)= option
and/or
SURFACE= PURE or U U
PETRO or U1 or U2 or U3 or
U4 or U5
DIFFUSIVITY (L) = NONE or

U U
DIFFUSIVITY(L)=WILKE U U
or DIFDATA
Method-Specific Water Handling Options (Volume I:Page I-32)

WATER DECANT= ON or OFF, {GPSA}, U U
SOLUBILITY= SIMSCI or KEROSENE, or EOS

U U
PROPERTY= SATURATED or STEAM or IF97

U U
Property Statements (optional)

Vapor-Liquid Equilibrium Options (optional)
KVALUE(VLE) POYNTING= OFF or ON, U U
MOLVOL= STANDARD or RACKETT or RCK2 or U U
LIBRARY,
{BANK= SIMSCI or ALCOHOL or GLYCOL or NONE U U
or bankid} or { BANK=PROII_8.0:SIMSCI,
PROII_8.0:ALCOHOL, PROII_8.0:GLYCOL
LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...}
AZEOTROPE= SIMSCI or NONE or bankid U U
{WRITE= fileid}
{ALPHA= ACENTRIC or SIMSCI or bankid} or {
BANK=PROII_8.0:SIMSCI, LIBRARY1:USER1,
LIBRARY1:USER2, LIBRARY1:bankid...}
(default depends on method)<optional data
statements> ...

Only the STANDARD option is available for molar liquid volume (MOLVOL)
calculations when the WILSON K-value method is selected.
Liquid-Liquid Equilibrium Options (optional)

KVALUE(LLE) {BANK= SIMSCI or ALCOHOL or GLYCOL or NONE
U U
or bankid} or { BANK=PROII_8.0:SIMSCI,
PROII_8.0:ALCOHOL, PROII_8.0:GLYCOL
FILL= NONE or UNIFAC or UFT1 or REGULAR or
U U
FLORY,
AZEOTROPE= SIMSCI or NONE or bankid U U
{WRITE= fileid}
{ALPHA= ACENTRIC or SIMSCI or bankid} or
{ BANK=PROII_8.0:SIMSCI, LIBRARY1:USER1,
(default depends on method)
<optional data statements> ...
PRO II supports databank name of upto 256 characters. In which, the

databank name is of 8 characters and the combination of libraryname: databankname
should of 256 characters (maximum). The full name of a databank is stored in the
PRO/II database will be libraryname:databankname.
Solid-Liquid Equilibrium Options (optional –Volume II: Chapter.7)

KVALUE(SLE) FILL=VANTHOFF or ONE or FREE
U U
SOLUTE i, j, .....
SOLDATA(tunit) i, l, c1, c2, c3, / ...
B B B B B B
Diffusivity Options (optional - Chapter.7)

DIFFUSIVITY(L)
DIFDATA (tunit) i, j, c1, c2, c3 / ...
B B B B B B
Vapor Fugacity Options (optional - Volume II :Chapter.5)

PHI {BANK= SIMSCI or NONE or bankid} or {
U U
LIBRARY1:USER2, DIPPR, bankid...}

Henry's Law Options (optional - Volume II :Chapter.6)
HENRY {BANK= SIMSCI or NONE or bankid} or {
U U
LIBRARY1:USER2, LIBRARY1:bankid...}SOLUTE i, j, ...
HENDATA(punit, tunit) i, l, c1, c2, c3, c4 / ...
Density Options (optional)

DENSITY(VL) {BANK= SIMSCI or NONE or bankid} or {
U U
or
DENSITY(V) {BANK= SIMSCI or NONE or bankid} or
U U
{ALPHA=ACENTRIC or SIMSCI or bankid} or
and/or
DENSITY(L) {BANK= SIMSCI or NONE or bankid} or
U U
LIBRARY1:USER2, DIPPR, bankid...}
Enthalpy Options (optional)

ENTHALPY(VL) U U {BANK= SIMSCI or NONE or bankid,} or
U U
U U
HMIX= IDEAL or GAMMA or RK1 or RK2
U U
or
ENTHALPY(V) {BANK= SIMSCI or NONE or bankid,} or
U U

and/or
ENTHALPY(L) {BANK= SIMSCI or NONE or bankid,} or
U U
{ALPHA=ACENTRIC or SIMSCI or bankid} or U U
HMIX= IDEAL or GAMMA or RK1 or RK2
U U
Entropy Options (optional)

{ENTROPY(VL) BANK= SIMSCI or NONE or bankid} or
U U U U
{ BANK=PROII_8.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2,

LIBRARY1:bankid...}
{ALPHA=ACENTRIC or SIMSCI or bankid} or { BANK=PROII_8.0:SIMSCI,
or
{ENTROPY(V) BANK= SIMSCI or NONE or bankid} or
U U

LIBRARY1:bankid...}
{ALPHA= ACENTRIC or SIMSCI or bankid} or { BANK=PROII_8.0:SIMSCI,

and/or
{ENTROPY(L) BANK= SIMSCI or NONE or bankid} or
U U

LIBRARY1:bankid...}
LIBRARY1:bankid...}
User-Supplied K-value Data (optional – Volume II: Chapter 3)

(Use with KVALUE statements)
KVALUE(VLE or LLE)
U U
KDATA CORR=icorr, LN or LOG or EXPFAC=ipos,

PREF(punit)=value
DATA=i, tmax, tmin, c1, ...c8/ ... B B B B
or
KDATA TABU=t1, t2, .../ i, p1, p2, .../ ..., PREF(punit)=value
B B B B B B B B

Binary Interaction Data (optional)
(Use with KVALUE, PHI, DENSITY, ENTHALPY, or ENTROPY statements)
BWRS Equation Of State Data (optional - Volume II: Chapter 4 & 5)

BWRS i, j, kij / ...
B B
HEXAMER Equation of State Data (optional - Volume II: Chapter 4 & 5)

HEXA(K or R) U U i, j, kija, kija, kijb, kjib, kijc, kjic, cij, cii / ...
B B B B B B B B B B B B B B
LKP Equation Of State Data (optional - Section 2.4.8)

LKP i, j, kij / ...
B B
Hayden-O'Connell Data (optional - Volume II: Chapter 4 & 5)

(For vapor fugacity, vapor density, vapor enthalpy, and vapor entropy)
HOCV i, i, nii / i, j, nij/ ...
B B B B
Truncated Virial Data(optional - Volume II: Chapter 4 & 5)

(For vapor fugacity)
TVIRIAL i, ηi B B
IDIMER Data (optional - Volume II: Chapter 4 & 5)

(For vapor fugacity, vapor density, vapor enthalpy and vapor entropy)
IDIMER i, i, Aii, Bii/ i, j, Aij, Bij/ ...
B B B B B B B B
Redlich-Kister Excess Properties Data (optional - Volume II: Chapter 4 & 5)

(Currently for heat of mixing only)
RK1(K or KCAL or KJ) i, j, aij, bij, cij, dij, eij, fij, gij, hij, / ...
U U B B B B B B B B B B B B B B B B
or
RK2(K or KCAL or KJ) i, j, aij, bij, cij, dij, eij, fij, gij, hij, / ...
Soave-Redlich-Kwong or Peng-Robinson Equation of State

Interaction Parameters (optional - Volume II: Chapter 4 )
SRK(K or R) or i, j, kija, kijb, kijc / ...
B B B B B B
PR(K or R)
or
SRKKD(K or R) U U i, j, kija, kijb, kijc / ...
B B B B B B
or

SRKP(K or R) or U U i, j, kija, kjia, kijb, kjib, kijc, kjic / ...
B B B B B B B B B B B B
PRP(K or R)
U U
or
SRKM(K or R) or U U i, j, kija, kjia, kijb, kjib, kijc, kjic cij, cji / ...
B B B B B B B B B B B B B B B B
PRM(K or R) U U
or
SRKH(K or KCAL or KJ)or i, j, aij, bij, cij, aji, bji, cji, αij, βij / ...
PRH(K or KCAL or KJ)

U U
or
SRKS(K or R) U U i, j, kija, kjia, kijb, kjib, kijc, kjic cij, cji / ...
Liquid Phase Activity Binary Interaction Data (Vol II Chapter 5)
NRTL Data (optional - Section 24.1)

NRTL3(K or KCAL or KJ) U U i, j, bij, bji, αij, / ... B B B B B B
or
NRTL(K or KCAL or KJ)
U U i, j, aij, bij, aji, bji, αij, / ...
B B B B B B B B B B
or
NRTL6(K or KCAL or KJ) U U i, j, aij, bij, aji, bji, αij, βij / ... B B B B B B B B B B B B
or
NRTL8 (K or KCAL or KJ) U U i, j, aij, bij, cij, aji, bji, cji, αij, βij / ...
UNIQUAC Data (optional - Section 2.5.2)

UNIQUAC(K or KCAL or KJ) U U i, j, aij, aji / ... B B B B
and/or
UNIQ4(K or KCAL or KJ) U U i, j, aij, aji, bij, bji / ... B B B B B B B B
Wilson Data (optional - Section 2.5.5)

WILSON(K or KCAL or U U i, j, aij, aji / ... B B B B
KJ or NODIME)
Van Laar Data (optional - Section 2.5.6)

VANLAAR i, j, aij, aji / ...
B B B B
Margules Data (optional - Section 2.5.7)

MARGULES i, j, aij, aji, dij, / ...
B B B B B B

Flory-Huggins Data (optional – Volume II :Chapter 1)
FLORY i, j, χ ij / ...
Other Binary Data For Liquid Activity Methods (Volume II: Chapter 1)
(For use with liquid activity methods, such as all forms of NRTL, UNIQUAC, Wilson, van
Laar, and the Margules methods.)
AZEOTROPE(basis, punit, tunit) i, j, pres, temp, xi / ... B B
INFINITE(tunit) i, j, temp, γ i∞ , γ ∞j / ...
MUTUAL(basis, tunit) i, j, temp, xill , x llj / ...
IDEAL i, j / ...
Henry's Law Data (optional – Volume II :Chapter 1)

SOLUTE i, {j ...}
HENDATA(pres, temp) i, l, c1, c2, c3, c4 / ...
B B B B B B B B
UNIFAC Group Contribution Data (optional – Volume II :Chapter 5)

(For K-value calculations only)
UNIFAC(K or KCAL or KJ)
U U l, k, Alk, Akl / ... B B B B
UNIFT1(K) U U l, k, alk, akl, blk, bkl, clk, ckl / ...

or
or
UNFV(K or KCAL or KJ)

U U l, k, alk, akl / ... B B B B
UNIWAALS Modified Group Contribution Interaction Data (optional – Volume II

:Chapter 4)
UNIFT1(K) l, k, alk, akl, blk, bkl, clk, ckl / ...
UNIFAC(K or KCAL or KJ)

U U l, k, Alk, Akl / ... B B B B
Pure Component Alpha Formulations (optional – Volume II :Chapter 4)

(Used with PR, SRK, or UNIWAALS methods)
PA01 or SA01 or VA01 i, c1 / ...
B B
PA02 or SA02 or VA02 i, c1, c2, c3 / ...

B B B B B B
PA03 or SA03 or VA03 i, c1, c2 / ...

B B B B
PA04 or SA04 or VA04 i, c1, c2 / ...

B B B B

PA05 or SA05 or VA05 i, c1, c2 / ...
B B B B
PA06 or SA06 or VA06 i, c1, c2, c3 / ...

B B B B B B
PA07 or SA07 or VA07 i, c1 / ...

B B
PA08 or SA08 or VA08 i, c1, c2, c3 / ...

B B B B B B
PA09 or SA09 or VA09 i, c1, c2, c3 / ...

B B B B B B
PA10 or SA10 or VA10 i, c1, c2 / ...

B B B B
PA11 or SA11 or VA11 i, c1, c2 / ...

B B B B
Special Property Methods Data (optional – Volume II :Chapter 8)

property(qualifier) {GAMMA=value, REFINDEX=value,
REFVALUE(unit)=value},
{NCFILL=ncfill}, {NCBLEND=ncblend}
DATA(unit) i,datvalue/...
Method-Specific Pure Component Data (optional – Volume II :Chapter 9)

TC(unit) i, value/...
PC(unit) i, value/...
VC(unit) i, value/...
ZC i, value/...
ACENTRIC i, value/...
NBP(unit) i, value/...
MOLVOL(unit) i, value/...
DIPOLE(unit) i, value/...
RADIUS(unit) i, value/...
SOLUPARA i, value/...
RACKETT i, value/...
WDELT i, value/...
PARACHOR i, value/...
PENELOUX(volunit) i, value/...
User-Added Subroutine Data (optional – Volume II :Chapter 6)

(See the PRO/II Data Transfer and User-Added Subroutines User’s Guide.)
UDATA i, value / ...
Input Description
Thermodynamic Method Comments (optional)
The NOTES statement supplies optional comments for any of your thermodynamic
methods. Refer to Object Annotation Notes in the Input Conventions Update of this
document.
TEXT This entry specifies the actual Note. The body of the Note

may be specified on multiple lines, but only the first 256
characters are stored. Additional characters are processed
and discarded.
This statement must follow the METHOD statement of the
thermodynamic set being annotated.
Examples
An example of the Thermodynamic Data section with NOTES follows.
THERMODYNAMIC DATA
METHOD SYSTEM = PR, DENS(L) = LK, SET = DEFAULT
NOTES TEXT = This is the default thermodynamic set for the
simulation.
METHOD SYSTEM = SRK, SET = BVLE
NOTES TEXT = Additional thermodynamic set defined to be used
with BVLE unit.

9 – STREAM DATA
U
Keyword Summary
Category Heading (required)
STREAM DATA
Streams Defined with Pure Components (optional — Section 9.1)

(For COLUMN feeds, PRES defaults to feed tray pressure)
PROPERTY STREAM=sid, {NAME=text}, {SET=setid}
(Temperature and pressure fixed)
TEMP(unit)=value and PRES(unit)=value,
{PHASE= M or V or L}U U
or
(Phase fixed)
TEMP(unit)= value or PRES(unit)=value,
PHASE=L or V or LFRAC(basis)= value,
COMPOSITION(basis)=i, value/...,
{RATE(basis,unit)=value, NORMALIZE}
Streams With Assay Data (optional — Section 9.2)

Overall Stream State (required)
PROPERTY STREAM= sid, RATE(WT or LV, unit)= value,
U U
ASSAY= LV or WT, {BLEND=name or

U U
{XBLEND=name},
{NAME=text},

PHASE= M or V or L,
U U
or
(Phase fixed)
PHASE=L or V or LFRAC(LV or WT)= value

Chapter 9 STREAM DATA 79

Distillation Data (required)
D86 DATA= pct, value / pct, value / ...,
{TEMP= K or C or R or F, STREAM=sid},
PRES(MMHG)=760.0, {CRACKING}
or
TBP or DATA= pct, value / pct, value/ ...,
D1160 {TEMP= K or C or R or F, STREAM=sid},
{PRES(MMHG)= 760.0},
or
{TEMP= K or C or R or F, STREAM= sid}
Gravity Data (required)

Standard liquid gravity measured at 60 F (15.5 C).
API or AVERAGE= value, {STREAM= sid},
SPGR or {DATA= pct, value / pct, value / pct, value / ...}
WATSONK
Molecular Weight (optional)

MW DATA= pct, value / pct, value / pct, value / ...,
{AVERAGE= value, STREAM= sid}
Lightends Data (optional)

LIGHTEND COMPOSITION (M or WT or LV or GV)= i, value/ ...,
U U
{RATE (M or WT or LV or GV)= value or

U U
FRACTION(WT or LV)= value or

PERCENT(WT or LV)= value or
MATCH or NOMATCH},
U U
{STREAM= sid, NORMALIZE}
Special Property Data (optional)

property {STREAM=sid},
AVERAGE=value,
and/or
DATA(qualifier)=pct,value/...
The special refinery properties that may be given in the Stream Data Category are
outlined in Table 9.2-2.

SPROP(i) {STREAM=sid},
AVERAGE=value,
and/or
DATA=pct,value/...
KVIS {STREAM=sid},
{TEMP(tunit)=t1,t2},
B B B B
AVERAGE(kvis unit)=value , value,

and/or
DATA(tunit,kvisunit)=t1,t2/pct,valuet1,valuet2/pct,
B B B B B B B B
value t1,value t2/...

B B B B
The SPROP qualifier i is any integer from 1 to 9999. The number of SPROP
statements given for any one problem must be 60 or less.
Streams That Reference Other Streams (optional — Section 9.3)

PROPERTY STREAM= sid, REFSTREAM= sid, {NAME= text},
{TEMP(unit)= value, PRES(unit)= value},
{RATE(M, unit)= value}
Stream Solids (optional — Section 9.5)

Solids Rate and Composition
SOLID COMPOSITION(WT or M)= i, value / ..., U U
{RATE(WT or M)= value, STREAM= sid, NORMALIZE}

U U
Solids Particle Size Distribution

PSD COMPONENT= i, j,
DATA= value, value, ..., {STREAM= sid}
Solids GENERAL Attributes
GENERAL COMPONENT= i, j, DATA= value, ...,
{STREAM= sid}
Naming Streams (optional — Section 9.5)

NAME sid, name1, {name2, name3} / ...
Industry Specific/User-Defined Stream Printout Requests

(optional — Section 9.5)
OUTPUT FORMAT=GAS, CHEMICAL, REFINE, formid,
{NSTREAM= no, DESCRIPTION= text},
{STREAMS= ALL or STREAMS= sid, ...}
U U

User-Defined Output Formats (conditional — Section 9.5)
FORMAT ID=formid,
{TITLE=text, NAME, NUMBERING=SEQUENCE
PAGE, LINE, PHASE, LINK, WET or DRY,
TEMPERATURE(unit), PRESSURE(unit),
TOTAL or LIQUID or VAPOR,
U U
RATE(M or WT or LV or GV, unit),

U U
ARATE(LV or GV or M or WT, unit), U U
SRATE(M or WT or LV or GV or MMGV, unit),

U U
LRATE(M or WT or LV or GV, i, j, unit)=name,

U U
CRATE(M or WT or LV or GV, i, j, unit),

U U
CPCT(M or WT or LV or GV, i, j),

U U
CFRAC(M or WT or LV or GV, i, j), U U
FWPCT(M or WT or LV), FWFRAC(M or WT or LV), U U U U
TWPCT(M or WT or LV), TWFRAC(M or WT or LV), U U U U
HCWPCT(M or WT or LV), HCWFRAC(M or WT or LV), U U U U
LPCT(M or WT or LV), LFRAC(M or WT or LV),

U U U U
ENTHALPY(M or WT, unit), HTOTAL (unit), U U
ENTROPY(M or WT, unit), STOTAL(unit), U U
DENSITY(unit), TBP, TBP10, D86, D86C, D1160,

SDENSITY(LV or GV, unit), SPGR(WATER or AIR), U U U U
API, TC(unit), PC(unit), VC(unit), ZC,

TR, PR, VR, ACENTRIC, NBP(M or WT or LV, unit), U U
WATSONK, MW, ZFACTOR,

CP(M or WT, unit), CV(or WT, unit), CPRATIO,
U U
TCOND(unit), VISCOSITY(unit), SURFACE(unit),

RVP(basis), TVP(unit), sproperty1 (qualifier), P P
GHV(unit), LHV(unit), C3PLUS}
General Information
The STREAM DATA section of input sets the stream identification, component flowrate,
and thermal condition of each external stream that feeds into the flowsheet. Optionally, the
user may supply initial estimates for recycle streams, assign a name to any stream in the
flowsheet, and request additional reports of stream results.
Stream Identification
For identification purposes, each stream definition must include an identification label, or
“sid”, containing up to 12 alphanumeric characters. The stream label must be unique.
Assigning the same sid to two or more streams produces an input error. The user also
may supply an optional name, containing up to 40 characters, for each stream in the flow
sheet. The stream name is purely descriptive, not necessarily unique, and may include
embedded blanks. Upto 40 characters are allowed for Stream names, if the user does not
enter any comma delimiters in the name.
1 All special refinery properties may be defined in the stream output format.

Stream Component Flowrates
There are three different ways to define a stream composition and flowrate:
(1) define the composition with defined components, (2) supply assay data, or (3)
reference another stream. Subsequent sections of this manual describe each method in
detail. See Section 9.1 for a description of defining composition streams, Section 9.2 for
assay streams, and Section 9.3 for details about referencing one stream to another.
All of the methods for defining streams use a consistent set of input conventions. The
remainder of this section describes conventions and features that are common to all three
methods.
Stream Thermal Conditions

Fluid Streams
Once the composition is fixed, two degrees of freedom remain to completely define the
thermodynamic state. These may be chosen from temperature, pressure, and phase/liquid
fraction. Note that PRO/II defaults column feed stream pressures to the feed tray pressure
if the PRESSURE is not given on the PROPERTY statement. Also, streams referenced to
other streams are initially defaulted to the reference stream pressure and temperature.
Table9-1 describes the available PROPERTY statement thermal condition specifications
in terms of the required keyword entries.
Table 9-1
Definition of Stream Thermal Data
Required Entries
Fixed Thermal States
TEMP PRES PHASE LFRAC
Pressure,Temperature R R M C
Temperature, Bubble pt. R C L D
Pressure, Bubble point C R L D
Temperature, Dew point R C V D
Pressure, Dew point C R V D
Temperature, Liq. Fraction R C F R
Pressure, Liq. fraction E R F R
C - Calculated by PRO/I L - ‘L’ entry required
D - Defined by PHASE entry M - Defaults to mixed phase
E - Optional estimate R - Required entries
F - Defined by LFRAC entry V - ‘V’ entry required
Solid Streams
Mixed solid/fluid streams are designated as PHASE=M on the PROPERTY statement, and
have the same thermal condition requirements as pure fluid (V, L or M) streams. Liquid
fractions are calculated on a solids-free basis.
Pure solid streams must have PRES and TEMP entries. Their compositions and flowrates
must be defined using a SOLID statement (see Section 9.4, Streams with Solids).

Alternate Stream Output Reports
In addition to the standard stream report summary, special reports formatted to industry
specific needs are available. Refer to Section 9.5 for information on how to select special
GAS, REFINE and/or CHEM reports.
Input Description
STREAM DATA
This statement must be the first statement in the STREAM DATA section of input. Only
the keyword STREAM is required. There are no other entries.
Remaining Stream Data Category Statements

The remaining Stream Data Category statements are discussed in subsequent sections:
Streams Defined With Pure Components (optional — Section 9.1)
Streams With Assay Data (optional — Section 9.2)
Streams That Reference Other Streams (optional — Section 9.3)
Stream Solids (optional — Section 9.4)
Naming Streams (optional — Section 9.5)
Industry Specific / User-Defined Stream Printout Requests (optional — Section 9.5)
User-Defined Output Formats (conditional — Section 9.5)

9.1 – STREAMS WITH
U
DEFINED
COMPOSITION
Keyword Summary
Stream Definition (required)
PROPERTY STREAM=sid, {NAME=text, SET=setid},

{PHASE= M or V or L}
U U
or
(Phase fixed)
COMPOSITION(basis,unit)=i, value/...,
Solids Rate, Compositions, and Attributes (optional, Section 9.4)

SOLID COMPOSITION(WT or M,unit)= i, value / ...
U U
{RATE(WT or M)= value, STREAM= sid,

U U
NORMALIZE}
DATA=value, value, ..., {STREAM=sid}
{STREAM= sid}
General Information
This section describes the input statements available for initializing streams having
defined components.

PROPERTY STREAM=sid, {NAME=text, SET=setid},

Chapter 9.1 STREAMS WITH DEFINED COMPOSITION 85

PHASE= M or V or L,
U U
or
(Phase fixed)
COMPOSITION(basis,unit)=i, value/...,
The PROPERTY statement is required to assign an identification label, define the initial
thermal conditions, and specify the rate and initial composition of the overall fluid (vapor
and liquid) phases of the stream. Solids data are not supplied on the PROPERTY
statement.
STREAM “sid” supplies the identification label required by each stream in the
problem. The label must be unique among all streams in the
problem. “sid” may contain up to 12 alphanumeric characters,
excluding embedded blanks and delimiters.
NAME “text” is a descriptive name optionally assigned to the stream. It

may contain up to 12 alphanumeric characters including embedded
blanks, but excluding delimiters. It serves only as an aid to the user
in identifying the stream in the results printout, and does not have
to be unique. If this entry is used, a name should not be assigned
to this stream on the NAME statement.
See Table 9-1 for allowable combinations of stream thermal

conditions.
SET When more than one thermodynamic method set appears in the
problem, the setid entry on the SET keyword can be used to
choose the set applicable to this stream. Refer to Section 10.2 for
information on defining and selecting thermodynamic sets for unit
operations.
TEMP Stream temperature.
PRES Stream pressure. If the stream is a column feed, it defaults to the
feed tray pressure.
PHASE This declares the initial phase condition of the stream. Phase may
be declared as mixed (M), vapor only (V), or liquid only (L).
When only one of TEMP or PRES is given, PHASE=L sets the

stream at its bubble point and PHASE=V sets the stream at its dew
point.
If TEMP and PRES are both given, PRO/II calculates the resulting
phase and overrides the user provided PHASE.
LFRAC This entry fixes the initial liquid fraction of the stream. Normally, it
serves as an alternative for the PHASE entry. May be given on a
mole (M - default), weight (WT), or liquid volume (LV) basis.

The COMPOSITION and (optional) RATE entries define the
composition and rate of the fluid phase components (vapor and
liquid). Solids are not included. When the RATE entry is missing,
the total fluid rate is calculated as the sum of the values supplied
on the COMPOSITION entry.
COMPOSITION The COMPOSITION entry is required if the stream contains a
vapor or liquid phase. Components not identified here are not
included in the stream fluid fraction. COMPOSITION may be given
on a mole (M - default), weight (WT), liquid volume (LV), or gas
volume (GV) basis and need not match the RATE basis. Omit the
COMPOSITION entry if the stream contains only solids. The units
may also be specifically provided.
When RATE is given:
The values entered here are compositions and must sum to 1.00 ±
0.01, 100 ± 1, or RATE ± 1%. Alternatively, the NORMALIZE
keyword may be given. If one of these criteria is not satisfied, an
error condition results.
When RATE is not given:
The values entered here are actual component flowing rates.

i Component number. When omitted, “i” defaults to the next
T
component number in sequence. If none of the components

have “i” entries, the first value entry applies to component 1.
T
Value The rate or composition of component “i”.

RATE The RATE entry sets the initial overall rate of the stream fluid
fraction. It is allowed as an option only when the COMPOSITION
entry is present. If RATE is missing, values entered on the
COMPOSITION entry represent actual component flow rates.
RATE may be supplied on a mole (M - default), weight (WT), liquid
volume (LV), or gas volume (GV) basis. If “unit” is given, the basis
defaults to the implied basis, e.g., if KG/HR is supplied, then the
basis defaults to WT.
NORMALIZE Instructs PRO/II to normalize the component flowrate to the
specified RATE. This option is ignored unless both the
COMPOSITION and RATE entries appear on the PROPERTY
statement. By default, NORMALIZE is inactive.
Solids Rate, Compositions, and Attributes (optional — Section 9.4)

SOLID COMPOSITION(WT or M,unit)= i, value / ...
U U
{STREAM= sid}
Chapter 9.1 STREAMS WITH DEFINED COMPOSITION 87

Streams with defined components may contain solids. See Section 9.4, for details on
stream definition with solid components.
Examples
1: Fluid Phase Stream
Define stream HXFD with the following composition and thermal state.
Component Flowrate
lb-mol/hr
1 70.0
2 200.0
3 50.0
4 7.0
5 0.2
Temperature, F 300.0
Pressure, psia 50.0
PROPERTY STREAM= HXFD, TEMP(F)= 300.0, PRES(PSIA)= 50.0, &

COMP= 70.0 / 200.0 / 50.0 / 7.0 / 0.2
Note that by default, the 70.0 applies to component 1, etc.
2: Dew Temperature Stream

Define stream LIQ7 as a 50 : 50 mixture by weight of components 2 and 4 with a flow rate
of 3000 pounds per hour. Calculate the initial dew point temperature at a pressure of 50
psia.
PROP STREAM= LIQ7, PHASE= V, PRESSURE(PSIA)= 50.0, &
RATE(LB/HR)=3000.0, COMP(WT)= 2, 50.0/ 4, 50.0
Note that a WT basis is implied for RATE when a weight rate is used for the unit qualifier.
3: Normalized Flowrates
Define stream R1 at a temperature of 50 C and 1.63 atm. R1 includes components 1, 2,
and 3 in a mole ratio of 10 : 70 : 147. Normalize the composition to produce a flow rate of
1500 lb-mol/hr.
PROP STREAM=R1, TEMP(C)= 50, PRES(ATM)=1.63, &
NORMALIZE, RATE(LBM/HR)=1500.0, COMP= &
1, 10.0/2, 70.0/3, 147.0

U
ASSAY DATA
Keyword Summary
PROPERTY STREAM= sid, RATE(WT or LV, unit)= value, SET=setid,
ASSAY= LV or WT, {BLEND=name or XBLEND=name},
U U
{NAME=text},

PHASE= M or V or LU U
or
(Phase fixed)
PHASE=L or V or LFRAC(LV or WT)= value,

{TEMP= K or C or R or F, STREAM=sid}
{PRES(MMHG)=760.0}, {CRACKING}
or

{PRES(MMHG)= 760.0},
or

WATSONK

Chapter 9.2 STREAMS WITH ASSAY DATA 89


LIGHTEND COMPOSITION(M or WT or LV or GV)= i, value / ...,
U U
{RATE(M or WT or LV or GV)= value or

U U

MATCH or NOMATCH},
U U

AVERAGE=value,
and/or
AVERAGE=value,
and/or
DATA=pct,value/...
KVIS {STREAM=sid},
AVERAGE(kvis unit)=value t1, value t2, B B B B
and/or
DATA(tunit,kvisunit)=t1,t2/pct,valuet1,valuet2/pct, B B B B

B B B B
The SPROP qualifier i is any integer from 1 to 9999. The total number of SPROP
Solids Rate, Compositions, and Attributes (optional —

Section 9.4)
SOLID COMPOSITION(WT or M,unit)= i, value / ...,
U U
{RATE(WT or M)= value, STREAM= sid, NORMALIZE}

U U
{STREAM= sid}

General Information
A stream may be defined by supplying distillation data instead of component
compositions. For the definition to be complete, a PROPERTY statement must appear first
to assign a stream label, define the thermal conditions, and specify the rate of the fluid
portion of the stream. One distillation statement (D86, TBP, D1160, or D2887) must
immediately follow to supply the distillation data. A gravity statement (API, SPGR, or
WATSONK) must provide gravity data. Optionally, molecular weight, lightends, special
properties, and solids data also may appear. All of these statements may appear in any
order following the PROPERTY statement, but must appear prior to the next PROPERTY
statement.
PRO/II determines the composition of the fluid fraction of petroleum streams when assay
data are furnished to represent the composition with pseudo components. Solid
components are not included in the assay. If desired, the number of petroleum
components and the cut widths may be defined by using the CUTPOINTS statement in
the Component Data Category of input. Otherwise, the standard cuts shown in table below
are used by default. These cuts are sufficiently small to provide reasonable accuracy for
most refinery hydrocarbon simulations.
Table9.2-1
Default Assay Cuts
Temperature Range, F Number Of Cuts
100 – 800 28
800 – 1200 8
1200 - 1600 4
PRO/II blends all petroleum streams together prior to characterizing the petroleum
components. Entering the XBLEND keyword on the PROPERTY statement excludes that
stream from the blend. For example, assume a problem includes two crude oils, each
having assay data provided by the user. In addition, three recycle streams have ASTM
distillations and rate estimates provided. The user may blend the two crude oils, but not
the three recycle streams, by entering XBLEND on the PROPERTY statement of each
recycle stream.
All stream properties include any lightends supplied on a LIGHTENDS statement. When
supplying laboratory data on a lightends-free basis, omit the LIGHTENDS statement.
Instead, enter the lightends data as an additional input stream to be blended with the
assay stream, to produce the total stream.
Input Description
PROPERTY STREAM= sid, RATE(WT or LV, unit)= value, SET=setid,
ASSAY= LV or WT, {BLEND=name or XBLEND=name},
U U
{NAME=text},

PHASE= M or V or L,
U U
or
(Phase fixed)
PHASE=L or V or LFRAC(LV or WT)= value
The PROPERTY statement must be the first statement in the definition of a stream with
assay data. The PROPERTY statement assigns a stream identification label, defines the
initial thermal conditions, specifies the rate, and selects the basis used for the assay data
that describes the overall fluid (vapor and liquid phases) of the stream. Solids data are not
supplied on the PROPERTY statement.
STREAM “sid” supplies the identification label required by each

stream in the problem. The label must be unique among all
streams in the problem. “sid” may contain up to 12
alphanumeric characters, excluding embedded blanks and
delimiters.
NAME “text” is a descriptive name optionally assigned to the
stream. It may contain up to 12 alphanumeric characters
including embedded blanks, but excluding delimiters. It
serves only as an aid to the user in identifying the stream in
the results printout, and does not have to be unique. If this
entry is used, a name should not be assigned to this
stream on the NAME statement.
SET When more than one thermodynamic method set appears
in the problem, the setid entry on the SET keyword can be
used to choose the set applicable to this stream. Refer to
Section 10.2 for information on defining and selecting
thermodynamic sets for unit operations.
See Table 9-1 for allowable combinations of stream thermal conditions.

PRES Stream pressure. If the stream is a column feed, it defaults
to the feed tray pressure.
LFRAC This entry fixes the initial liquid fraction of the stream.
Normally, it serves as an alternative for the PHASE entry. It
may be given on a weight (WT) or liquid volume (LV) basis.
RATE The RATE entry sets the initial overall rate of the stream
fluid fraction. It is optional when the COMPOSITION entry is
present, and is required for assay streams. If RATE is
missing, values entered on the COMPOSITION entry
represent actual component flow rates. RATE may be

supplied on a weight (WT) or liquid volume (LV). If “unit” is
given, the basis defaults to the implied basis, e.g., if KG/HR
is supplied, then the basis defaults to WT.
ASSAY The ASSAY option declares the basis used by the supplied
assay data. Either liquid volume (LV) or weight (WT) basis is
allowed. LV is the default basis if the ASSAY option is
omitted except if D2887 data are provided in which case WT
is the default (and only) option.
BLEND This optional keyword can be used to create a blend of
components from this assay stream. When the BLEND
keyword is not given, the default blend as indicated on a
CUTPOINTS statement is used. If there is no default
cutpoints blend, a “noname” blend will be used.
name The blend name. This has a maximum of 12

characters, with no embedded blanks
XBLEND This optional keyword can be used to exclude the
pseudocomponents that could have been created with this
assay from the components created in blend “name”. The
stream designated on this PROPERTY statement will be
synthesized from pseudocomponents present in blend
“name”. If there are no components created for blend
“name”, an error message will be issued. When “name” is
not given on the XBLEND keyword, the default blend as
indicated on a CUTPOINTS statement will be used. If there
is no default blend, the “noname” blend will be used. If there
is no “noname” blend, an error message will be issued.
Example: Create blend A1 from stream 1 using cutpoints created on the CUTPOINTS
statement. Create blend A2 from stream 2 using the default CUTPOINTS statement. A
third “noname” blend of components is to be created from stream 3 using the default
CUTPOINTS statement.
...
COMPONENT DATA
CUTPOINTS BLEND=A1, TBPCUTS=100, 400, 6/1200, 8
...
STREAM DATA
PROP STREAM=1, BLEND=A1, RATE(LV)=1000
D86 DATA= ...
PROP STREAM=2, BLEND=A2, RATE(LV)=1000
D86 DATA= ...
PROP STREAM=3,
D86 DATA= ...

{TEMP= K or C or R or F, STREAM=sid},
{PRES(MMHG)=760.0}, {CRACKING}
or
{PRES(MMHG)= 760.0}
or
One of these statements must appear immediately after the corresponding PROPERTY
statement and prior to the next PROPERTY statement or THERMO statement. It supplies
the distillation data for the fluid portion of the stream. Solids are not considered in the
distillation data. The DATA entry is required; all other entries are optional.
The FIT option on the ASSAY statement in the Component Data Category determines the
curve fitting procedure used to process the distillation data. The default cubic SPLINE
method requires a minimum of 2 data points. When only two data points are present,
PRO/II uses a probability density function to fill in the remainder of the curve. All other
fitting procedures require 3 data points for TBP curves, and 5 points for other distillation
data.
By default, PRO/II assumes a pressure of 760 mmHg for the supplied data. For all
distillation data options except D2887, the PRES option allows changing the pressure at
which the data were taken or to which the data were corrected.
D86 This statement supplies ASTM D86 distillation data,

or normally taken at atmospheric pressure (760 mmHg). Use
the PRES entry to correct for data measured at another
pressure. Use the CRACKING entry (below) to correct for
thermal cracking.
TBP Supply true boiling point distillation data on this statement,
or using the PRES entry to indicate the pressure at which the
data were measured.
D1160 This statement supplies ASTM D1160 distillation data,
or normally measured in partial vacuum conditions. By
default, data is corrected to 1 atmosphere (760 torr). Use
the PRES entry to correct data to another pressure.
D2887 This statement allows entry of data that describes a
distillation curve simulated in accordance with the ASTM
D2887 procedure.
No pressure entry appears on this statement.

DATA This entry is required to supply the actual distillation data
points. Each data point consists of two pieces of
information: (1) the cut point, expressed as a percentage of
the cumulative distillates and (2) the temperature of the cut.
Data must appear with the cut percentages in ascending
order, consistent with the basis declared on the ASSAY
entry of the PROPERTY statement. Any data supplied on
the LIGHTENDS statement override the corresponding
portion of the distillation data.
TEMP This optional entry identifies the dimensional unit used to
supply temperature data. If omitted, the temperature unit
declared on the DIMENSION statement in the General
Data Category serves as the default. Available arguments
include C (Celsius), K (Kelvin), F (Fahrenheit), or R
(Rankine) degrees.
PRES The PRES entry allows specifying the pressure at which
the distillation data were measured, or to which the data
are corrected. The default pressure is 760 mmHg. The
default dimensional unit is the problem pressure unit.
STREAM This supplies a stream label. It is optional; but when used,
it must agree with the stream label declared on the
PROPERTY statement, or an input error occurs.
CRACKING Presence of this keyword corrects D86 data for the effects
of thermal cracking. It is available only on the D86
statement.
This correlation was removed from the API Data

Book in 1987, but remains available as an option to provide
consistency for older data.

WATSONK
One of these statements must follow the distillation data statement after the PROPERTY
statement. These statements offer alternative forms for defining the liquid density of the
assay at 60 F (15.5 C). The AVERAGE entry is required; all other entries are optional.
When the DATA entry is not supplied, PRO/II generates a gravity curve based on the
distillation data and the average gravity value.

API API gravity.
SPGR Specific gravity.
WATSONK Watson (or UOP) characterization factor data.
AVERAGE This entry defines the average value for the fluid portion of
the stream, including any lightends. Solid components are
not considered. This entry is required.
DATA This option allows entry of user-supplied data points that
replace the PRO/II generated gravity curve. If used, at least
3 data points must be provided, consistent with the basis
declared on the ASSAY entry of the PROPERTY
statement.
pct Mid-volume percent or mid-weight percent

of the data point.
value The gravity or Watson characterization value

of the point associated with the “pct” argument.
STREAM Stream label. It is optional, but when used, must agree with
the stream label declared on the PROPERTY statement, or
an input error occurs.

This optional statement defines the molecular weight curve for the assay stream. If this
statement is used, the DATA entry must appear, but the AVERAGE and STREAM entries
always are optional. If the MW statement is not given, PRO/II estimates the molecular
weights for all assay cuts, using the method chosen by the MW entry on the ASSAY
statement, in the Component Data category of input.
DATA The data entry must define at least 3 points that appear in
the order of ascending weight percentages. An unlimited
number of points may be supplied.
pct Mid-volume percent or mid-weight
percent of the data point.
value The molecular weight of the point
associated with the “pct” argument.
AVERAGE Optionally, this defines the average molecular weight of the
fluid portion of the stream. Solid components are ignored. If
AVERAGE is given, PRO/II normalizes or extrapolates the
molecular weight curve, as required to satisfy the average
molecular weight of the stream. If omitted, PRO/II uses
quadratic extrapolation of the molecular weight curve, as
needed, to compute an average molecular weight.
STREAM Stream label. It is optional, but when used, must agree with
the stream label declared on the PROPERTY statement, or
an input error occurs.

LIGHTEND COMPOSITION(M or WT or LV or GV)= i, value / ...,
U U
{RATE(M or WT or LV or GV)= value or

U U

MATCH or NOMATCH},
U U

The LIGHTEND statement defines the light hydrocarbon components in the assay
analysis. All components appearing on this statement must be defined in the Component
Data Category. The COMPOSITION entry is required, but all other entries are optional.
COMPOSITION Required. This entry identifies the components that constitute the
lightends of the stream. The flow of each component in the lightends
may be supplied as an actual flow rate or as a fraction or percentage of
the total stream fluid rate. Solids are not included. The basis may be
mole (M), weight (WT), liquid volume (LV), or gas volume (GV) and may
be different from the basis used on the RATE, FRACTION, or
PERCENT entry. If “i” is omitted, it defaults to the next component
number in sequence. If none of the “i” arguments are given, then the first
“value” is associated with component 1.
If RATE, PERCENT, or FRACTION is given:
“value” is the composition for each component “i”. The sum of the values
must equal 1.0 ± 0.01, 100 ± 1 or the desired rate æ 1%. Alternatively,
the NORMALIZE keyword may be used to adjust the values to the
desired rate.
If MATCH is given:
The values are adjusted by a constant factor so that the lightends

flowrate matches the low-boiling portion of the TBP curve.
If NOMATCH is given:
The values are the actual flowing amounts.
RATE Optional. If used, this entry defines the total lightends rate on a mole
(M), weight (WT), liquid volume (LV), or gas volume (GV) basis. The
basis may be different from the COMPOSITION basis.
or
FRACTION or Optional. This defines the total lightends rate as a fraction or percent of
PERCENT the total stream fluid rate. The basis may be either weight (WT) or liquid
volume (LV). The basis may be different from the COMPOSITION basis.
The default basis is set by the ASSAY entry on the PROPERTY
statement.

In Figure 9.2-1, point “a” is the midpoint volume percent of the highest boiling pure
component. This cumulative percentage point is adjusted to intercept the TBP curve. Point
“b” is the volume percent of the total lightends.
STREAM Stream label. It is optional, but when used, it must agree with the stream
label declared on the PROPERTY statement, or an input error occurs.
Figure 9.2-1: Lightends Matching

NORMALIZE Optional. When RATE, FRACTION, or PERCENT is present, the
NORMALIZE option normalizes the total rate of the lightends to obtain
the required rate, regardless of the sum of the values supplied for the
COMPOSITION entry.
Examples:
Composition and rate given:
LIGHTEND STREAM=1, COMP=1./ 2./ 3./ 4.0, &
RATE=10.0
Composition given and rate defined as a fraction or percent of the
RATE entry given on the PROPERTY statement:
LIGHT STREAM=1, COMP(WT)=0.1/0.2/0.3/0.4, &
FRAC(V) = 0.02
LIGHT STREAM=1, COMP=10./ 20./ 30./ 40., &
PERCENT = 2.0
Match lightend flowrate to intercept the TBP curve:
LIGHTEND STREAM=1, COMP=1.0/ 2.0/ 3.0/ 4.0, &
MATCH
COMP entries as actual flowing values:
LIGHTEND STREAM=1, COMP(V) =1.0/ 2.0/ 3.0/ 4.0

AVERAGE=value,
and/or
AVERAGE=value,
and/or
DATA=pct,value/...
KVIS {STREAM=sid},
AVERAGE(kvis unit)=valuet1, valuet2,
B B B B
and/or
DATA(tunit,kvisunit)=t1,t2/pct,valuet1,valuet2/pct,
B B B B

B B B B
The SPROP qualifier i is any integer from 1 to 9999. The total number of SPROP

The special property statements define the assay stream special property curve. If any
special property statement is given, the DATA entry and/or the AVERAGE entry is
required, but all other entries are optional. Special properties available are outlined in
Table 9.2-2. These properties are not used unless the property calculation method is
specified on the METHOD statement in the Thermodynamic Data Category of input. The
keywords available for these special property statements are described below:
STREAM This is the stream label. It is optional. If it is used, it must

agree with the stream label declared on the PROPERTY
statement. When this keyword is not given, it defaults to the
stream id on the corresponding PROPERTY statement (and
associated D86 or TBP or D2887 statement).
TEMP This entry is applicable only for KVIS. When the AVERAGE
value is given but there is no DATA entry, the temperatures
at which these values are measured can be entered through
this keyword. If the DATA is also given, then the
temperatures entered there will be taken for the average
values also.
AVERAGE This entry defines the average special property value for the
assay stream.
DATA This entry defines the data curve for the assay stream
special properties. The use of this entry replaces the PRO/II
generated curve. If used, at least 3 data points must be
provided, consistent with the basis declared on the ASSAY
entry of the PROPERTY statement. For assay data given
over a partial range, a quadratic extrapolation is used to
extend data over the entire range.
pct Mid-point percent of the data point.

value The special property value of the point
associated with the “pct” value.
For KVIS:
The “tunit” qualifier available arguments
include C, K, F, or R degrees.
The same number of KVIS sets must be
given for each stream, and all corresponding
KVIS data sets must be at the same temperatures.
For each KVIS statement, at least 3
component entries must be given.

The refinery property of each assay narrow cut is determined from the input property
curve by setting the property value equal to the value on the curve at the cumulative mid-
point percent volume value. For blended streams, the blended value is calculated from the
individual cut property values using the same mixing methods supplied on the METHOD
statement in the Thermodynamic Data Category of input. Missing data are filled in using
the fill options specified on the NCBLEND keyword on the METHOD statement. See
Section 27.2, Transport and Special Properties, for additional information on these fill
options for assay blends.
Table 9.2-2:
Keywords for Special Stream Refinery Properties
Keyword Properties Predicted Qualifier1
P
P
ANEU Neutralize number -

ANIL Aniline point temp
AROM Aromatics content pct
ASH Ash content pct
ASPH Asphaltene content ppm, C5 or C7
U U
ASUL Aliphatic sulfur content pct

BROM Bromine number -
CABP Cubic average boiling point temp
CARB Carbon content pct
CCR Conradson carbon residue -
CETA Cetane index -
CETN Cetane number -
CFPP Cold filter plug point temp
CHRA Carbon-hydrogen ratio -
CLOU Cloud point temperature temp
FLPT or FLPO Flash point temperature temp
FRZP Freeze point temperature temp
H2 Hydrogen content pct
IRON Iron content ppm
KVIS KINEMATIC VISCOSITY TEMP
LUMI Luminometer number -
MEAB Mean average boiling point temp
MERC Mercaptan content ppm
MOAB Molal average boiling point temp
MON Motor octane number C or L
U U
NAPH Naphthene content pct

NHV Net heating value enthunits
NICK Nickel content ppm
NITR Nitrogen content pct
1
PFor those properties with qualifiers “frac,” “ppm,” or “pct,” any one of these three qualifiers may be
P
specified. The qualifier “frac” or “ppm” or “pct” indicated is the default for that property.

Table9.2-2:, continued
Keywords for Special Stream Refinery Properties
Keyword Properties Predicted Qualifier1
P P
NOAC Noack volatility -

NPHL Naphthalene content pct
OLEF Olefin content pct
OXYG OXYGEN CONTENT PPM
PARA Paraffin content pct
PEN Penetration index -
PHEN Phenol content ppm
POUR Pour point temperature temp
REFR Refractive index C20 or C70
U U
RON Research octane number C or L

U U
SMOK Smoke point -

SOFT Softening point -
SULF Sulfur content -
VANA Vanadium content ppm
WAX Wax content pct
WTAR Weight aromatic content pct
WTNA Weight naphthenic content pct
WTPA Weight paraffinic content pct
SPROP User-defined special property -
1 For those properties with qualifiers “frac,” “ppm,” or “pct,” any one of these three qualifiers may be
specified. The qualifier “frac” or “ppm” or “pct” indicated is the default for that property.
Solids Rate, Compositions, and Attributes (optional —

Section 9.4)
SOLID COMPOSITION(WT or M)= i, value / ...
U U
{STREAM= sid}
Streams with assay data may contain solids. See Section 9.4, for details on stream
definition with solid components.
Solids data may not be interleaved with assay data. Following the PROPERTY
statement, either all of the assay data or all of the solids data for that stream may appear
next.

Examples
1: Streams With Assay Data
Set up STREAM DATA input for the following 3 streams:
Stream Label
1 2 V6
Assay basis LV LV WT
Distillation type ASTM D86 ASTM D1160 TBP
IBP 100 310 201
10% 210 360 -
30% 240 385 370
50% 260 410 390
70% 275 560 -
90% 290 - 450
EP 310 - -
Gravity type API Watson K SpGr
Stream average 60 12.5 0.76
Mid % 25 - - 0.31
37 - - 0.42
52 - 0.65
Lightends
Total flow 50 moles - 11% by
weight
Comp. no. -
1 2 - 8
2 10 - 12
3 28 - 31
4 7 - 42
5 3 7
Special Properties SULFUR FLPT SPROP(1)
Stream average 15% 0.55
Mid 25% -5
35% 38
50% 95
Thermal conditions
Temperature 150 100 200
Pressure 50 50 75
Phase Liquid Liquid Mixed

Total rate, basis 1200, LV 1500, LV 2700, WT
PROPERTY STREAM= 1, TEMP= 150.0, PRES= 50.0, &

RATE(LV)= 1200.0, PHASE= L, ASSAY= LV
D86 STREAM= 1, DATA= 0.0, 100./ 10., 210./ &
30., 240./ 50., 260./ 70., 275./ 90., 290./ 100., 310.
API AVERAGE= 60.0, STREAM= 1
LIGHTENDS STREAM= 1, RATE= 50.0, &
COMPOSITION= 1, 2./ 2, 10./ 3, 28./ 4, 7./ 5, 3.0
SULFUR STREAM=1, AVERAGE=15
PROPERTY STREAM= 2, TEMP= 100.0, PRES= 50.0, &
RATE(V)= 1500.0, PHASE= L, ASSAY= LV
D1160 STREAM= 2, DATA= 0.00, 310./ 10., 360./ 30., 385./ &
50.0, 410.0 / 70.0, 560.0
WATSONK AVERAGE= 12.5, STREAM= 2
FLPT STREAM=2, DATA=25, -5/35, 38/50, 95
PROPERTY STREAM= V6, TEMP= 200.0, PRES= 75.0, &
RATE(W)= 2700.0, PHASE= M, ASSAY= WT
TBP STREAM= V6, DATA= 0.0, 201./ 30.0, 370.0/ &
50.0, 390.0 / 90.0, 450.0
SPGR STREAM= V6, AVERAGE= 0.76, &
DATA= 25.0, 0.31 / 37.0, 0.42 / 52.0, 0.65
LIGHTEND STREAM= V6, PERCENT(WT)= 11.0, &
COMP(WT)= 1, 8.0 / 2, 12.0 / 3, 31.0 / 4, 42.0 / 5, 7.0
SPROP(1) STREAM=V6, AVERAGE=0.55
2: Multiple Assay Blends

In the example below, three streams are flashed at 50 psia and 50% vaporization. Blend
A1 is created from stream 1 using the cutpoints created with the first cutpoints statement.
This blend is declared as the default blend by use of the DEFAULT keyword on the
CUTPOINTS statement. Blend A2 will be created from stream 2 using the range defined
on the second CUTPOINTS statement. Since there is no blend name explicitly specified
on the PROPERTY statement for stream 3, this stream will be blended into blend A1
because that is the default blend.
TITLE
DIMEN LIQV=BBL
COMPONENT DATA
CUTPOINTS BLEND=A1, TBPCUTS=100, 400, 6/1200, 8, DEFAULT
CUTPOINTS TBPCUTS=100, 1500, 40

THERMODYNAMIC DATA
METHOD SYSTEM=GS
STREAM DATA
PROP STREAM=1, BLEND=A1, RATE(LV)=9800, TEMP=100, &
PRES=14.696
TBP STREAM=1, DATA=10, 126/30, 137/50, 151/ &
70, 169/90, 191/100, 213
API STREAM=1, AVG=79.5
PROP STREAM=2, BLEND=A2, RATE(LV)=9800, TEMP=100, &
PRES=14.696
TBP STREAM=2, DATA=10, 130/30, 145/50, 160/ &
70, 175/90, 210/100, 250
PROP STREAM=3, RATE(LV)=9800, TEMP=100, PRES=14.696
TBP STREAM=3, DATA=10, 120/30, 135/ &
50, 150/70, 168/90, 196/100, 230
UNIT OPERATION
FLASH UID=FL1
FEED 1
PROD V=2A, L=3A
TPSPEC PRES=50
SPEC STREAM=2A, RATE, RATIO, STREAM=1, &
RATE, VALUE=-0.5
FLASH UID=FL2
FEED 2
PROD V=2B, L=3B
TPSPEC PRES=50
SPEC STREAM=2B, RATE, RATIO, STREAM=2, &
RATE, VALUE=0.5
FLASH UID=FL3
FEED 3
PROD V=2C, L=3C
TPSPEC PRES=50
SPEC STREAM=2C, RATE, RATIO, STREAM=3, &
RATE, VALUE=0.5

9.3 – REFERENCE
U
STREAMS
Keyword Summary
Overall Stream State (optional)
PROPERTY STREAM= sid, REFSTREAM= sid, {NAME= text}, {SET=setid}
{RATE(M, or WT or LV or GV, unit)= value}
U U
General Information
The reference stream feature allows the user to relate two or more streams together in a
dependent manner: (1) A source (or referenced) stream and (2) a target (or referencing)
stream. The source stream supplies any missing data necessary to the target stream,
while the target stream depends upon the source stream to acquire its missing data. This
type of referencing may be very useful in heat exchanger network calculations and often
enhances recycle convergence or may entirely eliminate recycle calculations.
The user declares a target stream by including the REFSTREAM entry on the
PROPERTY statement to identify a source stream. The STREAM entry must supply a
label for the target stream, but the COMPOSITION entry must be omitted. All other entries
are optional. Supplementary assay or solids data statements are not permitted. All
composition data, including assay cuts and solids, always are obtained from the source
stream. Other data, including rate, temperature, and pressure, are obtained from the
source stream only if they are missing from the PROPERTY statement.
Whenever the source stream changes, new values immediately propagate to the target
stream. The target stream is reflashed to establish the new enthalpy and phase.
A source stream must be fully defined in the STREAM DATA section of input, or else it
must be a product of a unit operation. The source stream cannot refer to another stream.

Chapter 9.3 REFERENCE STREAMS 107

Input Description
Overall Stream State (optional)
PROPERTY STREAM= sid, REFSTREAM= sid, {NAME= text}, {SET=setid}
{RATE(M, or WT or LV or GV, unit)= value}
U U
The PROPERTY statement must be the first statement in the definition of a stream that
references another stream. The PROPERTY statement must assign a stream
identification label and optionally may define the initial thermal conditions and specify the
rate of the fluid (vapor and liquid) portion of the stream. The COMPOSITION, PHASE and
LFRACTION keywords may not be given when defining target streams.
STREAM ‘sid’ supplies the identification label required by each

stream in the problem. The label must be unique
among all streams in the problem. ‘sid’ may contain
up to 4 alphanumeric characters, excluding
embedded blanks and delimiters.
REFSTREAM The REFSTREAM entry identifies the source stream
that supplies any missing data to the current stream.
This entry is required.
NAME ‘text’ is a descriptive name optionally assigned to the
target stream. It may contain up to 12 alphanumeric
characters including embedded blanks, but excluding
delimiters. It serves only as an aid to the user in
identifying the stream in the results printout, and does
not have to be unique. If this entry is used, a name
should not be assigned to this stream on the NAME
statement.
TEMP Stream temperature. If not supplied, the source
stream temperature applies and will be updated
automatically whenever the source stream is altered.
PRES Stream pressure. If the stream is a column feed,
defaults to the feed tray pressure. Otherwise, if
pressure is not supplied, the source stream pressure
applies and will be updated automatically whenever
the source stream is altered.
RATE The RATE entry specifies the initial overall rate of the
fluid fraction of the stream. If missing, the rate of the
source stream applies and will be updated
automatically whenever the source stream is altered.
If RATE is given, the new source stream component
flowrate is automatically normalized into the target
stream.
M This option specifies the initial overall rate of the fluid
fraction of the stream on a mole basis.

WT This option specifies the initial overall rate of the fluid
fraction of the stream on a weight basis.
LV This option specifies the initial overall rate of the fluid
fraction of the stream on a liquid volume basis. Liquid
volume always is specified on a STANDARD volume
basis; that is, at standard temperature and pressure.
Library components have a standard liquid volume
stored in the component data library, and that value is
used in computing the standard liquid volume of the
stream.
For the standard liquid volume or weight rate basis, the rate is calculated
from a Kay’s rule summation of the standard liquid volume or molecular weight
and mole or weight fraction of each component in the (source) stream. Because
each component has its own individual standard liquid volume or molecular
weight, a calculated liquid volume or weight rate is a function of composition.
GV This option specifies the initial overall rate of the fluid
fraction of the stream on a STANDARD gas (or vapor)
volume basis, i.e., at standard temperature and
pressure. Standard vapor volume is a constant
volume / mole, regardless of component species.
Therefore, standard vapor volume effectively is a
mole rate multiplied by a constant. The standard
temperature, standard pressure, and standard vapor
volume are printed at the bottom of each page of the
stream summary in PRO/II output reports.
For each referencing stream having RATE specified on a weight, liquid

volume, or gas volume basis, the rate is computed only the first time the
referencing logic is invoked, converted to a mole rate, and stored as a mole rate.
Thereafter, the mole rate remains constant REGARDLESS of any changes to the
rate or composition of the source stream (note: the “source” stream is the stream
that supplies the data to the “referencing” stream).

Examples:
PROPERTY STREAM= FD1, REFSTREAM= ST1, &
RATE(WT, KG/S)= 500
Assume RATE (of the referencing stream ST1) is specified as 500 kg (weight basis) per
second. Assume that, initially, the source stream, FD1, has a composition such that the
average molecular weight is 25. On the first invocation of REFSTREAM logic for this
stream, the rate of the referencing stream will be set at 500 kg/s calculated using a MW of
25, so the calculated MOLE rate is 20 kg-mols/s. The 20 kg-mol/s rate is stored for the
referencing stream and never again is changed by the REFSTREAM logic.
Now further assume that, later, the source stream is recalculated such that its composition
generates an average molecular weight of 50. When REFSTREAM logic again is invoked
to send the change in the source stream to the referencing stream, the rate of the
referencing stream will remain at 20 kg-mols/s. However, the weight rate of this stream
would be 20 kg-mol/s * 50 kg/kg-mol = 1000 kg/s. Note that, while the mole rate remains
constant, the consequential weight rate has doubled.
In all the calculations described above, no consideration is given to the actual

phase of the stream. Calculations are based on component mole fraction in the total
stream, regardless of the actual phase state.
Examples
1: Referencing Streams Defined In STREAM DATA Input
Define stream T11 as a duplicate of stream S1. Define stream T12 with an initial
temperature of 150 and a rate of 82 moles. Use stream referencing to use the pressure
and composition of stream S1. Create stream T13 as a duplicate of stream S1, but set the
pressure at 30. Create stream T21 at a temperature of 900, a pressure of 30, and a rate of
200 moles per time unit. Obtain the composition from assay stream S2.
STREAM DATA
PROP STREAM=S1, TEMP=200.0, PRES=35.0, RATE=820.0,&
COMP=6,160.0/7,170.0/8,180.0/9,190.0/50.0/ 40.0 / 30.0
PROP STREAM= T11,REFS=S1
PROP STREAM= T12,REFS=S1, TEMP=150.0, RATE=82.0
PROP STREAM= T13,REFS=S1, PRES=30.0
$
PROP STREAM=S2,TEMP=980.0,PRES=35.0,PHASE=V,&
RATE(GV)= 258.13, ASSAY= LV
API STREAM= S2, AVG= 47.0
D86 STREAM= S2, DATA=0,175.0/5,177.0/10,179.0/&
30,215.0/50,266.0/70,322.0/90,441.0/&
95,492.0/100,537.0

PROP STREAM= T21,REFS=S2,TEMP=900.0,PRES=30.0,&
RATE= 200.0
2: Referencing A Unit Operation Product Stream

Consider the flowsheet in Figure 9.3-1. Feed streams 1 and 2 are fully defined in the
Stream Data Category of input. Stream 5 has a temperature of 220É F, a pressure of 30
psia, and a fixed rate of 250 lb-moles per hour. Although the composition of stream 5 is
the same as stream 4, the composition is unknown. Use stream referencing to obtain the
composition from stream 4 after unit 1 has solved. Assume the default input units are
weight in pounds and time in hours.
Figure 9.3-1: Reference Streams

STREAM DATA
PROP STREAM=1,TEMP=100.0,PRES=30.0, COMP=1000.0
PROP STREAM= 2,TEMP=300.0,PRES=35.0,RATE=500.0,&
COMP=30.0/40.0/30.0
PROP STREAM=5,REFS=4,TEMP(F)=220.0, &
PRES(PSIA)=30.0,RATE=250.0

This page has been intentionally left blank.

U
SOLIDS
Keyword Summary
Defining Streams With Solids
PROPERTY ...(See Section 9.1 for streams with defined components.
See Section 9.2 for streams with petroleum assay definition.)

SOLID COMPOSITION(M or WT,unit)= i, value / ...
U U
RATE(M or WT)= value, {STREAM= sid}, {NORMALIZE}

U U

PSD COMPONENT= i1, {j2}, B B B B

GENERAL COMPONENT= i1, {j2}, DATA= value, ..., B B B B
{STREAM= sid}
General Information
All streams except reference streams may contain solids if solid components have been
defined in the COMPONENT DATA category. This section describes how solids are
assigned to streams defined on PROPERTY statements. Solid flows are defined in terms
of their composition, flowrates, and attributes.
PRO/II Version 5.0 supports two types of solid attributes: particle size distribution (PSD)
and GENERAL user defined attributes. Both of these attributes are defined for the
simulation in the COMPONENT DATA category. The entries supplied here permit the user
to distribute each solid component in the stream into particle size intervals and assign a
GENERAL attribute value for each solid component.

Chapter 9.4 STREAMS WITH SOLIDS 113

Input Description
SOLID COMPOSITION(M or WT,unit)= cno, value / ...
U U
RATE(M or WT)= value, {STREAM= sid}, {NORMALIZE}

U U
The solids statement defines the rate and composition of solids in a stream. It is always
the first statement in any group of solids data statements. If used, the SOLIDS statement
must appear immediately after the PROPERTY statement of the stream to which it
applies, or after all assay data statements that follow the PROPERTY statement. Solids
and assay statement groups may not be interleaved. Additional statements containing
solids data follow immediately after the SOLIDS statement.
The rate and composition of solids are entered on the SOLIDS statement without
considering the presence of fluid phases. Solids of unknown molecular weight (non-
molecular solids) must be entered on a weight basis. Solids having a known molecular
weight may be entered on either a mole or a weight basis. Because composition may be
entered on either a mole or weight basis, each stream definition allows up to two SOLIDS
statements - one using a mole basis (the default), the other specifying a weight basis.
COMPOSITION This entry is always required to define the amount of solids

initially present. Values may be entered on a mole basis (M
- default) or on a weight basis (WT). The units may also be
provided.
When the RATE entry is missing, the total rate of all fluid
phases in the stream is the sum of the values supplied on
the COMPOSITION entry. When both RATE and
COMPOSITION appear, one of the following conditions
must be met to avoid an error condition:
The supplied composition values sum to 1.00 ± 0.01.
The supplied composition values sum to 100.0 ± 1.
The composition values sum to the actual flow rates ± 1%.
The NORMALIZE option is used.
RATE This defines the total flow rate used for the solids entered
on the COMPOSITION entry. The basis may be mole (M -
default) or weight (WT). If the RATE entry is missing,
values entered for the COMPOSITION entry are actual flow
rates. Refer to the COMPOSITION entry (above) for further
discussion of the interaction between these two entries.
STREAM This entry is optional. It serves only as an aid in associating
the SOLIDS statement with the appropriate PROPERTY
statement. If given, ‘sid’ must match the ‘sid’ on the
PROPERTY statement, or an error condition results.
When NORMALIZE is used, the compositions are
NORMALIZE
normalized as required to agree with the specified rate.

PSD COMPONENT= i1, {j2}, B B B B

This optional statement supplies data representing the particle size distribution of solids.
The distribution intervals must first be defined on an ATTRIBUTE PSD statement in the
COMPONENT DATA Category of input. Data entered here specify the fraction of each
component distributed to each interval. A separate PSD statement is allowed for each
component having a phase of LS, VLS, or S declared in COMPONENT DATA.
COMPONENT The PSD data affect all components in sequence from

component number cno1 through cno2. If cno2 is not given,
B B B B B B
only cno1 is affected.

B B
DATA Supplied values represent the fraction of each component

solids distributed to each particle size interval.
STREAM This entry is optional. If given, the ‘sid’ must match the ‘sid’
given on the PROPERTY statement.

GENERAL COMPONENT= cno1, {cno2}, DATA= value, ...,
B B B B
{STREAM= sid}
This statement allows definition of a vector of user-defined solid component attributes.
Each stream allows a separate GENERAL attribute statement for each component having
a phase of LS, VLS, or S declared in the COMPONENT DATA section of input. While not
utilized directly by PRO/II, the data is available to User-added Subroutines or user-defined
In-line Procedures.
COMPONENT The PSD data affect all components in sequence from

component number cno1 through cno2. If cno2 is not given,
B B B B
only cno1 is affected.

B B
DATA Supplied values represent the value of each GENERAL

attribute in sequence. The existing PRO/II version 5.0 unit
operations do not use these values; however, they may be
accessed in a User-added Subroutine or In-line Procedure
provided by the user. A minimum of one data value is
required.
STREAM This entry is optional. If given, the ‘sid’ must match the ‘sid’
given on the PROPERTY statement.

Examples
1: Stream Containing Fluid and Solid Phases
Set up the STREAM DATA input for the following stream:
Definition Of Stream FD-1
Temperature, F 40.0
Pressure, psia 2000.0
Rate, lb/hr 16000.0
wt. fraction
Liquid Composition
0.25
Component 1
0.50
2
0.25
3
Solid Rate 10.0 lb-mole/hr
Component 4 250.0 lb/hr
5 20.0 lb-mole/hr
6
Interval 1 2 3 4
____ ____ ____ ____
PSD (fraction) 0.01 0.70 0.2

0.09
GENERAL attributes
components 5, 6 1.1 2.2 3.3
PROP STREAM= FD-1, TEMP(F)= 40.0, PRES(PSIA)= 2000, &

RATE(WT, LB/HR)= 16000.0, &
COMP(WT)= 1, 0.25 / 2, 0.50 / 0.25
SOLID STREAM=FD-1, COMP(M)= 4, 10.0 / 6, 20.0
SOLID STREAM=FD-1, COMP(WT)= 5, 250.0
PSD STREAM= FD-1, COMP=4, 6, &
DATA= 0.01, 0.7, 0.2, 0.09
GENERAL STREAM=FD-1, COMP= 5, 6, &
DATA=1.1, 2.2, 3.3

2: Stream Containing Only Solids
Define stream FD-2 to model only the solids from stream FD-1 of the previous example.
Apply the particle size distribution only to components 4 and 6 (skipping component 5).
PROP STREAM=FD-2, TEMP(F)=40.0, PRES(PSIA)=2000,
SOLID STREAM=FD-2, COMP(M)= 4, 10.0/ 6, 20.0
SOLID STREAM=FD-2, COMP(WT)=5, 250.0
PSD STREAM=FD-2, COMP=4, DATA= 0.01, 0.7, 0.2, 0.09
PSD STREAM=FD-2, COMP=6, DATA= 0.01, 0.7, 0.2, 0.09


9.5 – STREAM
U
DOCUMENTATION
Keyword Summary
Naming Streams (optional)
NAME sid, name1, {name2, name3} / ...
Industry Specific / User-Defined Stream Printout

Requests (optional)
OUTPUT FORMAT= GAS, CHEMICAL, REFINE, formid,
STREAM=ALL or STREAM= sid, ...
U U
User-Defined Output Formats (conditional)

FORMAT ID=formid,
PAGE, LINE, PHASE, LINK, WET or DRY, U U
U U

U U
ARATE(LV or GV or M or WT, unit),

U U
SRATE (M or WT or LV or GV or MMGV, unit),

U U

U U

CFRAC(M or WT or LV or GV, i, j),
FWPCT(M or WT or LV), FWFRAC(M or WT or LV),
TWPCT(M or WT or LV), TWFRAC(M or WT or LV),
HCWPCT(M or WT or LV), HCWFRAC(M or WT or LV),
ENTHALPY(M or WT, unit), HTOTAL (unit),
ENTROPY(M or WT, unit), STOTAL(unit),

TR, PR, VR, ACENTRIC, NBP(M or WT or LV, unit),
CP(M or WT, unit), CV(M or WT, unit), CPRATIO,
COND(unit), VISCOSITY(unit), SURFACE(unit),
1
P P All special refinery properties may be defined in the stream output format.
Chapter 9.5 STREAM DOCUMENTATION 119

RVP(basis), TVP(unit), sproperty1(qualifier), GHV(unit),
P P
LHV(unit),C3PLUS}
Stream Comments (optional)

NOTES STREAM=sid, TEXT=Notes Line
General Information
Three documentation related features of PRO/II are described in this section. The first
allows the user to identify streams with a 12-character NAME. This description is used for
output documentation only and does not impact the simulation calculations in any way.
The second allows the user to select alternate stream output formats. SimSci has grouped
stream properties together to target the specific needs of the gas processing, refining, and
chemicals industry through separate reports. The user may select none, any, or all of the
stream reports. Streams may be grouped together in separate reports and identified with a
description field.
The third feature allows users to define their own stream output formats. This definition is
input by means of the FORMAT statement.
Naming Streams (optional)

NAME sid, name / ...
The NAME statement supplies optional descriptive names for any streams in the flow
sheet. This description is used for output documentation only and does not impact the
simulation calculations in any way. An error condition results if NAME is supplied on the
PROPERTY statement, as well as the NAME statement.
Sid Stream identifier as supplied on the PROPERTY

statement or as a product from any PRO/II unit operation.
Name Stream names (or stream descriptions) each may contain
up to 40 alphanumeric characters. However, most fields
used to display a stream name are only 12 characters
wide. If the stream name exceeds 12 characters, it will be
printed on multiple lines. For this reason, the user may
embed commas in the name to control printing on multiple
lines. Each comma is interpreted as a line throw.
Industry Specific / User-Defined Stream Printout

Requests (optional)
OUTPUT FORMAT= GAS, CHEMICAL, REFINE, formid,
STREAM=ALL or STREAM= sid, ...
U U
This statement allows the user to request additional reports of selected stream data. A
maximum of 20 OUTPUT reports may be requested. Each OUTPUT statement requests a
single report. Predefined reports are available for the natural gas, oil refining, and
chemicals industries. Alternatively, a format id (formid) may be specified to reference a

1
All special refinery properties may be defined in the stream output format

format identified by the given formid in the FORMAT statement. This statement also
allows streams to be grouped together and identified with a description field for special
reports.
Each report includes all streams in the problem, unless the user selects individual
streams. In the latter case, streams appear in the report in the order of appearance on the
STREAMS entry. A stream may appear any number of times in a single report, and may
appear in any number of reports. For mixed-phase streams, rates and properties are
printed for both the liquid and vapor phases.
Note that the standard stream summary may be suppressed by selecting the PRINT
STREAM=PART option in the General Data Category (Section 5).
FORMAT This entry selects the type of report desired. It is a required

entry. Examples of each output report format are given on
the following pages. Options include:
GAS Selects the Gas Processing report
CHEMICAL Selects the Chemicals report
REFINE Selects the Refinering report.
formid An alphanumeric string of up to four
characters. Each formid uniquely
identifies one format and may not be
reused to identify a different format.
(GAS, CHEM and REFI are

reserved entries and may not be used to
identify a user-defined format.)
NSTREAM This option specifies the number of streams printed across
the page. Table 9.5-1 shows valid NSTREAM values. The
maximum (default) number of streams is set by the WIDTH
option on the PRINT statement of GENERAL DATA (see
Section 5).
Table 9.5-1
Maximum Number of Streams Across a Page
GENERAL DATA Maximum
PRINT Statement Streams per Page
WIDTH= 80 (default) 4
WIDTH= 120 7
WIDTH= 132 8

Sample Gas Report
SIMULATION SCIENCES INC. R PAGE P-12
PROJECT APPBRIEF PRO/II VERSION 16-SEP-94 VAX VMS
PROBLEM G7 OUTPUT SIMSCI
GAS PROCESSOR PROPERTIES SET 01/30/94

==============================================================================
STREAM ID 1 3 2 4
NAME WET GAS LEAN TEG DRY GAS RICH TEG
PHASE VAPOR LIQUID VAPOR LIQUID
---------TOTAL STREAM ---------
TEMPERATURE, F 80.00 130.00 84.23 80.71
PRESSURE, PSIG 720.000 720.000 720.000 720.000
RATE, LB-MOL/HR 4284.0728 40.7511 4279.1846 45.6392
RATE, LB/HR 79061.6094 5627.9307 78928.0547 5761.4946
ENTHALPY, MM BTU/HR 2.9832 0.2312 3.1339 0.0806
ENTHALPY, BTU/LB 37.7327 41.0897 39.7061 13.9816
---------VAPOR PHASE ------------
RATE, LB-MOL/HR 4284.0728 N/A 4279.1846 N/A
RATE, LB/HR 79061.6094 N/A 78928.0547 N/A
ACT RATE, FT3/MIN 508.0608 N/A 513.5288 N/A
STD VAP RATE(1), M 1625.7350 N/A 1623.8799 N/A
FT3/HR
RATE C2+, GAL/M STD FT3 2.8748 N/A 2.8684 N/A

RATE C3+, GAL/M STD FT3 0.7048 N/A 0.7030 N/A
ENTHALPY, MM BTU/HR 2.9832 N/A 3.1339 N/A
ENTHALPY, BTU/LB 37.7327 N/A 39.7061 N/A
CP, BTU/LB-F 0.5975 N/A 0.5966 N/A
CV, BTU/LB-F 0.3966 N/A 0.3982 N/A
CP/(CP-R) RATIO 1.2197 N/A 1.2202 N/A
ENTROPY, BTU/LB-F 2.3432 N/A 2.3486 N/A
IDEAL GHV, BTU/STD FT3 1081.9353 N/A 1082.3599 N/A
IDEAL LHV, BTU/STD FT3 977.4280 N/A 977.8016 N/A
WOBBE INDEX 50624.5508 N/A 50658.1992 N/A
MOLECULAR WEIGHT 18.4548 N/A 18.4446 N/A
ACT DENSITY, LB/GAL 0.3467 N/A 0.3424 N/A
COMPRESSIBILITY (Z) 0.9027 N/A 0.9063 N/A
PSEUDO CRIT. TEMP, F -86.0498 N/A -86.5129 N/A
PSEUDO CRIT. PRES, PSIG 670.7144 N/A 669.4890 N/A
---------LIQUID PHASE ---------
RATE, LB-MOL/HR N/A 40.7511 N/A 45.6392
RATE, LB/HR N/A 5627.9307 N/A 5761.4946
ACT RATE, GAL/MIN N/A 10.2259 N/A 10.5589
STD LV RATE, GAL/MIN N/A 9.9762 N/A 10.3961
ENTHALPY, MM BTU/HR N/A 0.2312 N/A 0.0806
ENTHALPY, BTU/LB N/A 41.0897 N/A 13.9816
CP, BTU/LB-F N/A 0.5615 N/A 0.5464
MOLECULAR WEIGHT N/A 138.1049 N/A 126.2401
ACT DENSITY, LB/GAL N/A 9.1727 N/A 9.0943
STD SP.GR. N/A 1.1278 N/A 1.1079
(1) STD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)

Sample Chemical Report
PROJECT C2 PRO/II VERSION 16-SEP-94 VAX VMS

PROBLEM APPBRIEFS OUTPUT SIMSCI
CHEMICALS PROCESSOR PROPERTIES SET AUG94
==============================================================================
STREAM ID
NAME 1 2 3 4
FEED BOTTOMS OVERHEAD SIDE DRAW
PHASE VAPOR LIQUID LIQUID LIQUID
-TOTAL STREAM -
TEMPERATURE, K 473.00 469.23 313.36 394.93
PRESSURE, KPA 1583.000 1589.000 1555.000 1574.000
RATE, KG-MOL/HR 3847.2502 127.2505 3702.0000 18.0000
RATE, KG/HR 66383.0781 2339.1907 63111.9180 931.9695
ENTHALPY, M*KJ/HR 77.8500 1.9277 11.9745 0.2667
ENTHALPY, 20.2352 15.1490 3.2346 14.8156
K*KJ/KG-MOL
ENTHALPY, KJ/KG 824.0934 189.7345 286.1475
1172.7390
MOLECULAR WEIGHT 17.2547 18.3826 17.0481 51.7761
MOLE FRACTION 0.0000 1.0000 1.0000 1.0000
LIQUID
WEIGHT FRACTION 0.0000 1.0000 1.0000 1.0000
LIQUID
PSEUDO CRIT. 413.9818 645.8078 405.5927 500.4746
TEMP, K
PSEUDO CRIT. 11622.9180 21947.2441 11294.9590 6085.4058
PRES, KPA
---------VAPOR PHASE ------------
RATE, KG/HR 66383.0781 N/A N/A N/A
ACT RATE, M3/HR 9557.9609
NORM VAP RATE(1), 86.2322 N/A N/A N/A
K*M3/HR
CP, KJ/KG-K 4.2659 N/A N/A N/A
CV, KJ/KG-K 3.7835 N/A N/A N/A
MOLECULAR WEIGHT 17.2547 N/A N/A N/A
ACT DENSITY, KG/M3 6.9453 N/A N/A N/A
COMPRESSIBILITY (Z) 1.0000 N/A N/A N/A
VISCOSITY, PAS 1.6316E-05 N/A N/A N/A
COND, W/M-K 0.0477 N/A N/A N/A
---------LIQUID PHASE ---------
RATE, KG/HR N/A 2339.1907 63111.9180 931.9695
ACT RATE, M3/HR N/A 2.7515 108.5706 1.4448
ACT RATE, LIT/SEC N/A 0.7643 30.1585 0.4013
STD LV RATE, M3/HR N/A 2.3615 102.0475 1.1833
CP, KJ/KG-K N/A 4.4617 4.8588 2.5165
MOLECULAR WEIGHT N/A 18.3826 17.0481 51.7761
ACT DENSITY, KG/M3 N/A 850.1400 581.2984 645.0646
VISCOSITY, PAS N/A 1.3587E-04 1.1375E-04 1.2682E-04
COND, W/M-K N/A 0.1919 0.4391 0.1250
(1) NORMAL VAPOR VOLUME 22.414 M3/KG-MOLE (273.15 K AND 1 ATM)

Sample Refinery Report
PROJECT R3S PRO/II VERSION 16-SEP-94 VAX VMS

REFINERY PROCESSOR PROPERTIES SET AUG94
==============================================================================
STREAM ID 9 10 11 12
NAME NAPHTHA KEROSENE DIESEL GAS OIL
PHASE WET LIQUID DRY LIQUID DRY LIQUID DRY LIQUID
----- TOTAL STREAM - WET BASIS (INCLUDES ANY FREE AND DISSOLVED WATER) -----
TEMPERATURE, F 110.00 464.75 628.52 757.01
PRESSURE, PSIG 5.300 11.800 12.500 13.300
RATE, LB-MOL/HR 2878.6843 1047.0974 574.7708 715.2158
RATE, LB/HR 279901.5000 184786.0313 144889.3594 236614.6250
ENTHALPY, MM BTU/HR 3.4379 38.2675 45.9035 95.7849
ENTHALPY, BTU/LB 12.2827 207.0908 316.8175 404.8142
MOLECULAR WEIGHT 97.2324 176.4745 252.0820 330.8297
----- VAPOR PHASE - WET BASIS (INCLUDES WATER VAPOR) -----
N/A N/A N/A N/A
RATE, LB/HR
ACT RATE, FT3/MIN N/A N/A N/A N/A
STD VAP RATE(1), M FT3/HR N/A N/A N/A N/A
CP, BTU/LB-F N/A N/A N/A N/A
CV, BTU/LB-F N/A N/A N/A N/A
MOLECULAR WEIGHT N/A N/A N/A N/A
ACT DENS, LB/FT3 N/A N/A N/A N/A
COMPRESSIBILITY (Z) N/A N/A N/A N/A
STD SP.GR. (AIR, 60F) N/A N/A N/A N/A
----- LIQUID PHASE - WET BASIS (INCLUDES ANY FREE AND DISSOLVED WATER) -----
279901.5000 184786.0313 144889.3594 236614.6250
RATE, LB/HR
788.5455 568.9902 451.8407 740.1091
ACT RATE, GAL/MIN
1090.2252 641.7003 477.0454 747.7712
STD LV RATE, BBL/HR
26165.3594 15400.7793 11449.0703 17946.4785
STD LV RATE, BBL/DAY
0.5059 0.7139 0.7474 0.7706
CP, BTU/LB-F
97.2324 176.4745 252.0820 330.8297
MOLECULAR WEIGHT
248.4709 227.3325 224.4648 223.7912
ACT DENSITY, LB/BBL
61.4902 40.5629 31.6351 25.0855
STD API GRAVITY

Sample Refinery Report, continued
PROJECT R3S PRO/II VERSION 16-SEP-94 VAX VMS

REFINERY PROCESSOR PROPERTIES SET AUG94
==============================================================================
STREAM ID 9 10 11 12
NAME NAPHTHA KEROSENE DIESEL GAS OIL
PHASE WET LIQUID DRY LIQUID DRY LIQUID DRY LIQUID
- TOTAL
BASIS (INCLUDES NO WATER) ----
STREAM - DRY
RATE, LB/HR 279818.2813 184786.0313 144889.3594 236614.6250
MOLECULAR 252.0820 330.8297
97.3598 176.4745
WEIGHT
WATSON K 11.8392 11.7035 11.7109 11.7002
FLASH POINT, 237.1056 301.9478
-62.5778 141.2216
F
RVP, PSI 14.6388 0.0163 5.8315E-04 1.6430E-04
TVP, PSIG 0.8684 -14.6633 -14.6948 -14.6956
STD API 31.6351 25.0855
GRAVITY 61.5055 40.5629
----- VAPOR PHASE - DRY BASIS (INCLUDES NO WATER) -----
RATE, LB/HR N/A N/A N/A N/A

STD VAP N/A N/A N/A N/A
RATE(1), M
FT3/HR
MOLECULAR N/A N/A N/A N/A
WEIGHT
----- LIQUID PHASE - DRY BASIS (INCLUDES NO WATER) -----
279818.2813 184786.0313 144889.3594 236614.6250
RATE, LB/HR
26159.6523 15400.7793 11449.0703 17946.4785
STD LV RATE,
BBL/DAY
97.3598 176.4745 252.0820 330.8297
MOLECULAR
WEIGHT
61.5055 40.5629 31.6351 25.0855
STD API
GRAVITY
(1) STD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)

DESCRIPTION This option supplies text that replaces the default heading
normally printed in the page header of each report. The text
may contain up to 40 alphanumeric characters, including
embedded blanks. Delimiter characters are not allowed within
the text, and a comma terminates text entry.
STREAMS This option allows the user to limit the report to show only
specific streams. Streams appear in the report in the order
they appear on this entry. If the STREAM entry is omitted, or if
the STREAMS=ALL option appears, the report includes all
streams in the problem. Alternatively, a list of valid stream id's
may be supplied which will result in only those streams
reported in this report. Streams with zero flow are always
ignored.
An error condition may result if a stream id

corresponds to one of the valid keywords on the OUTPUT
statement. These should be avoided.
User-Defined Output Formats (conditional)

FORMAT ID=formid,
PAGE, LINE, PHASE, LINK, WET or DRY, U U
U U

U U
ARATE(LV or GV or M or WT, unit),

U U
SRATE (M or WT or LV or GV or MMGV, unit),

U U

U U

CFRAC(M or WT or LV or GV, i, j),
FWPCT(M or WT or LV), FWFRAC(M or WT or LV),
TWPCT(M or WT or LV), TWFRAC(M or WT or LV),
HCWPCT(M or WT or LV), HCWFRAC(M or WT or LV),
ENTHALPY(M or WT, unit), HTOTAL (unit),
ENTROPY(M or WT, unit), STOTAL(unit),

TR, PR, VR, ACENTRIC, NBP(M or WT or LV, unit),
CP(M or WT, unit), CV(M or WT, unit), CPRATIO,
TCOND(unit), VISCOSITY(unit), SURFACE(unit),
1
RVP(basis), TVP(unit), sproperty (qualifier), GHV(unit), P P

LHV(unit), C3PLUS}1All special refinery properties may be defined in
P P
the stream output format.

The FORMAT statement may be used to create special stream component and/or
property reports. Up to 10 user defined FORMAT statements are allowed per problem.
These must be placed in the Stream Data Category. The OUTPUT statement (as
described earlier) is used to select the groups of streams to be printed with each user
defined FORMAT. Each FORMAT definition may be used for multiple OUTPUT reports as
desired. Note that the FORMAT statement does not generate output reports except when
used in conjunction with the OUTPUT statement.
The user has complete control of paging, heading and line spacing when using the
FORMAT option. Property calculations may be performed on total, liquid or vapor bases
and on wet or dry bases. When both liquid and vapor properties are requested, the liquid
and vapor portions for mixed phase streams are reported separately.
A large selection of printout keywords are available, with up to 250 entries allowed on a
single FORMAT statement. Note that a single FORMAT definition may be used to
describe several pages of printout for each group of streams requested via an OUTPUT
statement.
The order of appearance of keywords determines the order and basis on which properties
are generated and printed. For example,
FORMAT ID=FMT1, ...., DRY, VAPOR, MW, RATE(WT),
TC, WET, MW, RATE(WT)
generates dry vapor molecular weight, weight flow, and mole average critical temperature
followed by vapor wet mole weight and weight flow.
Calculation and printout basis keywords (WET or DRY, TOTAL or LIQUID or VAPOR)
remain in effect until they are reset by appearance of another keyword within their
grouping. All properties selected after this keyword is used are calculated on that basis.
Default bases are WET and TOTAL.
Some properties apply only to certain phases and may not be appropriate for a given
phase. For example, liquid volume percents are inappropriate for “VAPOR” properties.
Similarly, vapor phase properties cannot be reported for an all liquid stream. For these
cases, the requested properties are reported as zeros. Note that no warning messages
are given. Note also that some properties are not available for mixed phase streams on a
total stream basis. For example, actual flow rate on a volume basis is not available for
mixed phase streams.
In the following descriptions, the qualifiers WT, LV and GV which define the basis
to be weight, liquid volume and gas volume have aliases of W, V and G, respectively.

ID Format identifier, an alphanumeric string of one to four
characters. Each formid uniquely identifies one format
and may not be reused to identify a different format.
GAS, CHEM and REFI are reserved entries

and may not be used to identify a user-defined format.
TITLE Centered text to be printed within the user-defined
stream summary report. This text may be up to 60
characters long ending with a comma. Blanks are
allowed but delimiters are not.
Any number of 10 TITLE keywords may be used in any

FORMAT statement. However, PRO/II allows only as
many as will fit on one line of text. If several
consecutive TITLE keywords are used as the first
printout options on the FORMAT statement, it will result
in a ‘title block’ to be printed beginning on the first line
after the standard page header.
NAME Print stream names, as assigned in the Stream Data
Category.
NUMBERING When reporting component flowrates by ranges using
LRATE and CRATE, or CPCT or CFRAC, components
may be renumbered, or reported using the flowsheet
component numbers. The choices are:
SEQUENCE This is the default. The
components are numbered in the
order reported. Lumped
components (using the LRATE
keyword) are reported as a single
component number. Numbers
continue to increase in sequence
until a keyword other than LRATE
or CRATE or CPCT or FRACT is
given.
COMPONENT Components are reported using the
flowsheet component numbers.
NONE Components are unnumbered.

The following example illustrates how the NUMBERING keyword works:
FORMAT ID=1, NUMBERING=SEQUENCE, CRATE(1,3), &
LRATE(4,6)=XYZ, CRATE(7,8), NUMBERING=COMPONENT, &
CRATE(1,3), LRATE(4,6)=XYZ, CRATE(7,8), NUMBERING=NONE, & CRATE(1,3),
LRATE(4,6)=XYZ, CRATE(7,8)
This will produce a report in the following sequence:
Number ID Rate(moles/hr)
1 cno1B B rate
2 cno2B B rate
3 cno3B B rate
4 XYZ rate
5 cno7B B rate
6 cno8B B rate
1 cno1B B rate
2 cno2B B rate
3 cno3B B rate
LUMPED XYZ rate
7 cno7B B rate
8 cno8B B rate
cno1B B rate
cno2B B rate
cno3B B rate
XYZ rate
cno7B B rate
cno8B B rate
PAGE Begin a new page and print a page header. The description
and stream id’s are also written. The first page throw (form
feed) at the beginning of the report is automatic. It is thus
unnecessary to start the FORMAT with a PAGE keyword.
LINE Generates one blank line in the report.
PHASE Print stream phases, “MIXED”, “LIQUID”, “VAPOR” or “SOLID”.
LINK Print the unit id and column tray for which the stream is a feed
or product. For streams fed to more than one unit, only the first
unit id will be printed.
WET or DRY
U U Computes properties including or excluding water, respectively.
A descriptive line is also written. Default is WET.
TEMPERATURE Stream temperature.
PRESSURE Stream pressure.

TOTAL or
U U Compute properties on a total stream basis (TOTAL – default),
LIQUID or compute liquid phase properties (LIQUID) or vapor phase
VAPOR properties (VAPOR). A descriptive label is also written.
RATE Stream rate at standard conditions. RATE may be requested on
a mole (M - default), weight (WT), liquid volume (LV), or gas
volume (GV) basis. If ‘unit’ is given, then the basis defaults to
the implied basis. For example, if KG/HR is supplied, then the
basis defaults to WT.
Note that on a total stream basis, mixed phase streams and

vapor streams are printed in liquid volume units when
RATE(LV) is selected. Similarly, on a total stream basis, mixed
phase streams and liquid streams are printed in vapor volume
units when RATE(GV) is selected.
ARATE The actual flowing rate at temperature and pressure of
operation on a liquid volume (LV - default) or gas volume (GV)
or mole (M) or weight (WT) basis. If “unit” is given, then the
basis defaults to the implied basis.
SRATE Same as RATE (stream rate at standard conditions) but can
accept millions of gas volume (MMGV) qualifier as a basis.
LRATE Lumped component flow rate for components “i” through “j” on a
mole (M - default), weight (WT), liquid volume (LV) or gas
volume (GV) basis. The lumped component will have the name
given as data to the LRATE keyword. If no name is supplied,
then the lumped component will be listed as “COMPS i-j”.
CRATE Stream component flow rates at standard conditions for
components “i” through “j” on a mole (M - default), weight (WT),
liquid volume (LV) or gas volume (GV) basis. If no component
range is given, then all component flow rates are tabulated
individually.
There are some special rules concerning the numbering of
lumped components and identifying the printout with a
“COMPONENT RATE” header. The first time a LRATE or
CRATE appears, the “COMPONENT MOLE/VOLUME/WEIGHT
RATE” header is printed out. The first component is then
component one. Subsequent components, whether lumped or
normal, are numbered sequentially as they are printed. This is
true for all LRATE or CRATE entries that immediately follow,
provided the basis (M, WT, LV or GV) remains the same. If the
basis is changed or another keyword is intervening, then
“COMPONENT RATE” appears again and the component
numbering starts over.
CPCT, Stream component percents or fractions for components “i”
CFRAC through “j” at standard conditions on mole (M - default), weight
(WT), liquid volume (LV) or gas volume (GV) basis. If no
component range is given, then all component percents or

fractions are tabulated.
FWPCT, Free water percent or fraction on mole (M -default), weight (WT)
FWFRAC or liquid volume (LV) basis.
TWPCT, Total water percent or fraction on mole (M -default) or weight
TWFRAC (WT) or liquid volume (LV) basis.
HCWPCT, Percent or fraction water in the hydrocarbon liquid phase on
HCWFRAC mole (M - default), weight (WT) or liquid volume (LV) basis.
LPCT, Stream liquid percent or fraction on a mole (M - default), weight
LFRAC (WT) or liquid volume (LV) basis.
ENTHALPY Stream enthalpy in default output units. ENTHALPY may be
requested on a mole (M - default) or on weight (WT) basis.
HTOTAL Total stream flow enthalpy.
ENTROPY Stream entropy on a mole (M - default) or weight (WT) basis.
STOTAL Total stream flow entropy.
DENSITY Stream density at flowing conditions.
TBP, TBP10, Individual TBP, TBP 10%, D86, D86 cracking, and D1160
D86, assay curves.
D86C, D1160
SDENSITY Standard condition stream densities on a liquid volume (LV -
U U
default) or gas volume (GV) basis.

SPGR Standard condition stream specific gravity. The valid qualifiers
are WATER (default) which reports a standard liquid density as
measured against water at 60 F and 1 atm, and AIR which
reports a standard vapor density as measured against air at 60
F and 1 atm (or standard conditions as defined in the General
Data Category).
API Standard condition stream API gravity.

TC,PC,VC,ZC Stream critical temperature, critical pressure, critical volume
and critical compressibility as computed with Kay's rule.
TR,PR Stream reduced temperature and pressure as computed with
Kay’s rule.
ACENTRIC Stream mole average acentric factor.
NBP Stream average normal boiling point in default temperature
units. The allowable bases are mole average (M - default),
weight average (WT) and liquid volume average (LV).
WATSONK Stream Watson characterization factor.
ZFACTOR Compressibility factor.
MW Stream molecular weight.

CP Stream heat capacity in default output units on a mole (M -
default) or weight (WT) basis.
CV Stream heat capacity on a constant volume basis on a mole (M

- default) or weight (WT) basis. Note that CV is rigorously
calculated.
CPRATIO Ratio of CP/CV where CV is rigorously calculated.
TCOND Stream thermal conductivity.
VISCOSITY Stream viscosity.
SURFACE Stream liquid surface tension.
RVP Total stream Reid vapor pressure reported as psi. Table 9.5-2
shows the available options for basis.
Table 9.5-2
RVP Methods
Basis Method
APINAPHTHA API Technical Data Book, Fig. 5B1.1
APICRUDE API Technical Data Book, Fig. 5B1.2
D323 ASTM D323-82 rigorous simulation
P323 ASTM D323-79 rigorous simulation
The global default is normally APINAPHTHA, but may be

changed to any basis on the CALCULATION statement in

the General Data category.
TVP Liquid stream true vapor pressure.
sproperty(qualifier) Any or all of the special stream refinery properties given
in Table 9.5-3 may be requested on the OUTPUT
statement. The property requested must also be defined
on the METHOD statement in the Thermodynamic Data
category of input. Otherwise the property will be reported
as “missing.”
GHV Stream gross heating value in energy units per standard
vapor unit.
LHV Stream lower heating value in energy units per standard

vapor unit.
C3PLUS Rate of flow for propane and heavier components as
standard US gallons per 1000 standard cubic feet. This is
a vapor property.

Table 9.5-3 - Stream Special Refinery Properties
sproperty (qualifier)1 Properties Predicted
ANEU Neutralize number
ANIL(temp) Aniline point
AROM(frac, TOTA or RING)
U U Aromatics content
ASH(pct) Ash content
ASPH(ppm, C5 or C7) U U Asphaltene content
ASUL(pct) Aliphatic sulfur content
BROM Bromine number
CABP(temp) Cubic average boiling point
CARB(pct) Carbon content
CCR Conradson carbon residue
CETA Cetane index
CETN Cetane number
CFPP(temp) Cold filter plug point
CHRA Carbon-hydrogen ratio
CLOU(temp) Cloud point temperature
FLPT or FLPO (temp) Flash point temperature
FRZP(temp) Freeze point temperature
H2(pct) Hydrogen content
IRON(ppm) Iron content
KVIS Kinematic viscosity
LUMI Luminometer number
MEAB(temp) Mean average boiling point
MERC(ppm) Mercaptan content
MOAB(temp) Molal average boiling point
MON(C or L) Motor octane number
NAPH(frac) Naphthene content
NHV(enthunits) Net heating value
NICK(ppm) Nickel content
NITR(frac, TOTA, or BASI or NONE)
U U Nitrogen content
NOAC Noack volatility
NPHL(frac) Naphthalene content
OXYG(ppm) Oxygen content
PARA(frac) Paraffin content
PEN Penetration index
PHEN(ppm) Phenol content
POUR(temp) Pour point temperature
REFR(C20 or C70)
U U Refractive index
RON(C or L) Research octane number
SMOK Smoke point
SOFT Softening point
SPROP(i) User-defined special property
SULF(pct) Sulfur content
VANA(ppm) Vanadium content
WAX(pct) Wax content
WTAR(pct) Weight aromatic content
WTNA(pct) Weight naphthenic content
WTPA(pct) Weight paraffinic content
1 For those properties with qualifiers “frac”, “ppm”, or “pct”, any one of these qualifiers may be
specified. The particular qualifier indicated is the default for that property.

Stream Comments (optional)
NOTES STREAM=sid, TEXT=Notes Line
The NOTES statement supplies optional comments for any of your flowsheet stream.
Refer to Object Annotation Notes in the Input Conventions Update of this document.
STREAM=sid The “sid” argument is the stream identifier as supplied on the

PROPERTY statement or on a PRODUCT statement of a unit
operation. Depending upon the placement of the NOTES
statement, the stream ID may or may not be required. If the
NOTES statement is placed following a PROPERTY statement,
the stream ID does not need to be specified. Streams not
declared on a PROPERTY statement, such as internal or
product streams, require the STREAM=sid entry on the NOTES
statement.
TEXT This entry specifies the actual Note. The body of the Note may
be specified on multiple lines, but only the first 256 characters
are stored. Additional characters are processed and discarded.
Examples
1: Stream NAME Example
Assign stream NAMES to a debutanizer feed and products.
NAME FD, WILD NAPHTHA/OVHD, C4 MINUS/BTMS, NAPHTHA
2: Stream OUTPUT Example

Request a CHEMICALS output for streams OXYL, PXYL, MXYL and EBNZ. A
DESCRIPTION field is provided for this report.
OUTPUT FORMAT=CHEMICAL, &
STREAM=OXYL, PXYL, MXYL, EBNZ, &
DESCRIPTION=XYLENE FRACTIONATOR &
PRODUCT STREAMS
3: Stream OUTPUT and FORMAT Example

Generate a special stream report for streams FD1, FD2, and PROD which replaces both
the component flow and stream summary reports.
TITLE .....
PRINT STREAM=NONE, .....
.....
STREAM DATA
.....
OUTPUT STREAMS=FD1,FD2,PROD, FORMAT=FMT1

FORMAT IDNO=FMT1, DRY, TOTAL, NAME, PHASE, &
CRATE, RATE, LINE, TEMP, PRES, &
VAPOR, RATE, MW, HTOTAL, CP(WT), &
RATE(GV,FT3/D), GHV, ARATE(LV,FT3/M), &

DENSITY(LB/FT3), ZFACTOR, TR, PR, &
VISC, LIQUID, RATE, MW, HTOTAL, &
CP(WT), VISC, SSPGR, SRATE(LV,GAL/M), &
DENSITY(LB/FT3), RATE(LV,GAL/M)
4 An example for the Stream Data Section containing NOTES follows.
STREAM DATA
.NAME P1, COKER FEED/ R1, RECYCLE/ ...
NOTES STREAM = P1, TEXT = Slate IMX9 product stream that feeds
the Coker UnitThis page is intentionally left blank

10 – UNIT
U
OPERATIONS
General Information
All PRO/II simulation runs require at least one unit operation. Most unit operation blocks
model actual pieces of plant equipment, such as a PUMP or distillation COLUMN. Other
unit operations, such as the CONTROLLER or OPTIMIZER, facilitate flowsheet
convergence. Still others are utilities that compute stream properties, such as the
heating/cooling curve generator (HCURVE) and PHASE envelope generator.
Sections 10.1 – 10.7 provide general information common to some or all unit operations.
Detailed descriptions of each unit operation appear in this manual, starting with chapter
11.
Section 10.1 is an introduction into PRO/II’s handling of flowsheet topology. It explains
how unit operations are linked via streams to form a computational analog of an actual
process plant.
Section 10.2 discusses features common to some or all unit operations, including the unit
operation header statement, FEED and PRODUCT statements, and the METHOD
statement.
PRO/II can reference parameter values anywhere within the flowsheet. This capability
greatly enhances the user’s power to converge flowsheets rapidly and toward solutions
that might require multiple runs on other process simulators. Section 10.3 provides a
concise summary of all unit operation and stream parameters that may be cross-
referenced by other unit operations. The various statements that employ cross-referencing
are SPEC, OBJECTIVE and CONSTRAINT statements (Section 10.4), the DEFINE
statement (Section 10.5), and VARY and CHANGE statements (Section 10.6).
Section 10.7 discusses in-line user-written PROCEDURES. This capability allows users to
write FORTRAN-like code that may be called and executed without the need to compile
and relink from standard PRO/II unit operations. Note that a user-written PROCEDURE
differs from Section 16.1, Calculator, in that the CALCULATOR is a stand-alone unit
operation, whereas the PROCEDURE may only be called by other unit operations.
Chapter 10 UNIT OPERATIONS 137


10.1 – FLOWSHEET
U
TOPOLOGY
The primary purpose of flowsheet simulators such as PRO/II is to develop accurate
models for process plants. Each plant unit operation has a simulation analog in PRO/II.
Calculated products from each simulated unit operation are fed to subsequent unit
operations, as they would be in the real plant.
Consider the following process flowsheet:
Figure 10.1-1. Process Flowsheet

It is a simple matter to translate this process flowsheet into a PRO/II simulation flowsheet.
Each unit operation in the flowsheet has a corresponding PRO/II unit operation module
that can model it. The topology is completed by providing a stream identifier for each
stream to define the feeds and products for each unit.
Figure 10.1-2 PRO/II Simulation Flowsheet

Each unit operation is placed in sequence in the Unit Operation Data Category. In this
example, a partial listing of the unit operations data would be:
Chapter 10.1 FLOWSHEET TOPOLOGY 139

UNIT OPERATIONS
MIXER UID=M1
FEED F1,RVAP
PROD M=F100
REACTOR UID=R1
FEED F100
PROD M=F101
(additional REACTOR data)
COLUMNUID=C1
FEED F101,10/RLIQ,11
PROD OVHD=P102,100,BTMS=BPRD
(additional COLUMN data)
SPLITTER UID=S1
etc.
PRO/II belongs to the “sequential modular” class of simulators. Normally, PRO/II solves
each unit (or group of units in the case of merged columns) in the sequence provided by
the user. It is usually preferable to sequence these units in the order of process flow. The
sequence may be altered, with the use of the SEQUENCE statement (Section 3) without
shuffling the order of unit operations in the Unit Operations Category.
When modeling systems containing recycles, the PRO/II loop analyzer will evaluate the
flowsheet topology and find all recycle streams and unit operations to be calculated in
each loop. The recycle tolerances and maximum recycle trials for each recycle are set
automatically. PRO/II will automatically detect unit operations that have no relevance to
the loop convergence and move them outside the recycle loop. If desired, recycle
accelerators may be used to improve the rate of convergence. The user may override the
PRO/II recycle logic in the Recycle Data Category (Section 17.4).
PRO/II provides additional flowsheet calculational control with Section 17.1, Feedback
Controller, Section 17.2, Multi-variable Controller, and Section 17.3, Flowsheet Optimizer.
These unit operations provide the user with advanced convergence techniques for solving
problems with specific solution requirements.

10.2 – UNIT
U
OPERATION INPUT
The basic structure to input unit operation data is discussed in this section. Also, features
common to some or all unit operations are discussed in detail, rather than repeating them
multiple times throughout this manual. They include the unit operation identification
statement, feed and product information, and thermodynamic methods selection.
Parameter cross-referencing, another feature common to all unit operations, is discussed
in the following Sections (10.3 – 10.6).
Keyword Summary
Category Identification (required)
UNIT OPERATIONS
Unit Identification (required)

<unit type> UID= uid, {NAME= text, KPRINT}
Unit Operations Comments (optional)

Feeds and Products (required)

FEED sid, {sid, ... }
PRODUCT V=sid, {W=sid, S=sid}
or
L=sid, {W=sid, S =sid}
or
V=sid, L =sid, { W =sid, S =sid}
or
M=sid, { W =sid, S =sid}
General Information
Thermodynamic Set Selection (optional)
METHODS SET=setid

Chapter 10.2 UNIT OPERATION INPUT 141

Input Description
Unit operation data are entered with the following general format:
Unit Operations (required)

<unit type> UID=uid, ... (required)
FEED sid, ... (conditional)
PROD V=sid, L=sid, ... (conditional)
unit specific data (required, Section 50+)
SPEC ... (conditional, Section 43)
DEFINE ... (optional, Section 44)
METHODS SET=setid (optional)
<unit type> UID=uid, ...
...
Following the <unit type> statement, subsequent statements may appear in any order.
Exceptions to this are the SHORTCUT PROD statements (Section 78), the reactor
STOICHIOMETRY definitions (Sections 91-95), and the CALCULATOR unit operation
(Section 121).

UNIT OPERATIONS
This statement is required in every PRO/II keyword input file. The statements that follow
pertain directly to unit operations data.
Unit Operation Header Statement

<unit type> UID=uid, {NAME=text, KPRINT}
Each unit operation module included in a simulation requires a statement of this form to
identify it. It must be the first statement in the block of input statements that defines the
unit operation. Table 10.2-1 lists the available options and the sections of this manual that
document them.
<unit type> This entry is a keyword that identifies the unit operation
being modeled. Refer to Table 10.2-1.
UID The unit identifier field is an alphanumeric string
containing a maximum of twelve characters. It uniquely
identifies each unit operation. Embedded blanks are not
permitted. UID is used for referring to the unit operation
with specifications and for sequencing. Although not
strictly required, it is highly recommended that one be
included for each unit operation. All simulations created
via PROVISION will automatically have one, and UID is
generally recommended for proper data transfer into
thePROVISION database.
NAME This is an optional description field used for labeling
output results. Up to 40 alphanumeric characters may

be given, including embedded blanks. The following
characters are disallowed:
= / * , & $ ( )
KPRINT Presence of this optional keyword generates a table of
component K-values on the FLASH unit operations. For
other unit operations, this keyword is accepted but has
no effect.
Table 10.2-1
PRO/II Unit Operations
Section Unit Type Section Unit Type
11.1 FLASH 14.4 PLUG
11.2 PUMP 14.5 CSTR
11.3 VALVE 15.1 DRYER
11.4 MIXER 15.2 RFILTER
11.5 SPLITTER 15.3 FCENTRIFUGE
11.6 COMPRESSOR 15.4 CCDECANTER
11.7 EXPANDER 15.5 DISSOLVER
11.8 PIPE 15.6 CRYSTALLIZER
12.1 COLUMN 15.7 MELTER/FREEZER
12.2 IO 16.1 CALCULATOR
12.3 SURE 16.2 STCALC
12.4 CHEMDIST 16.3 HCURVE
12.5 RXDIST 16.4 PHASE
12.8 SHORTCUT 16.5 HYDRATES
12.9 LLEX 16.6 BVLE
13.1 HX 16.7 HEXTABLES
13.2 HXRIG 17.1 CONTROLLER
13.3 LNGHX 17.2 MVC
14.1 REACTOR 17.3 OPTIMIZER
14.2 METHANATOR/SHIFT 19.1 DEPRESSURIZING
14.3 GIBBS

Example:
COLUMNUID= S1, NAME= STRIPPER
FLASH UID= 1, KPRINT
Unit Operations Comments (optional)

The NOTES statement in a Unit Operation Input Block provides a TEXT entry that
specifies the actual Note. The body of the Note may be specified on multiple lines, but
only the first 256 characters are stored. Additional characters are processed and
discarded. Since the NOTES statement appears within the Unit Operation Input block, the
unit ID is not required. Refer to Object Annotation Notes in the Input Conventions Update
of this document.
Example:
An example for the Unit Operation Section containing NOTES follows.
COLUMN UID = COL1, NAME =DEETHANIZER
NOTES TEXT = This unit is a deethanizer that will remove C2 and lighter &
components from a hydrocarbon gas feed. The bottoms & product will contain
ethane to propane in the ratio of 0.025.
PARA TRAY = 20, IO= 20
Feed Statement
sid An alphanumeric string of one to
twelve characters. Each ‘sid’ uniquely
identifies one stream and may not be
reused to identify a different stream.
Every unit operation in a flowsheet, excluding controllers and utility unit operations,
requires at least one feed. The format shown here is common to most unit operations;
however, there are a few variations due to the input requirements for each unit. Table
below shows the exceptions. See the specific unit operation section in the manual for
details.

Table 10.2-2
Unit Operations with Alternate FEED Statement Formulations
Section Unit type Section Unit type
12.1 COLUMN 13.2 HXRIG
12.8 SHORTCUT 13.3 LNGHX
12.9 LLEX 16.2 STCALC
13.1 HX 19.1 DEPRESSURING
The feed may be one of three types:

An external stream defined with a PROP statement (Section 31).
A product stream of another unit operation defined by its calculations.
A recycle stream initialized first in the STREAM DATA Category of input with a PROP
statement, and then updated on each cycle iteration by another unit operation.
Most unit operations support an unlimited number of feeds. When multiple feeds are
specified, the combined feed is flashed adiabatically at the lowest feed pressure to
calculate the composite feed thermal conditions.
When a unit operation has a zero flow in all its feeds, it is bypassed, and a warning is
issued.
Example:
FEED 1L, 1V, RECY
FEED 1
Product Statement
PRODUCT V=sid, {W=sid, S=sid}
or
L=sid, {W=sid, S =sid}
or
V=sid, L =sid, { W =sid, S =sid}
or
M=sid, { W =sid, S =sid}

V Designates a product stream in the vapor phase.
L Designates a product stream in the liquid phase.
M Designates a product stream with mixed vapor and liquid
phases.
W Designates a product stream with decanted water. Water
must form an immiscible phase, which is the default
calculational method for most generalized K-value
predictors. ‘W’ may also be used to designate a second
liquid phase when VLLE phase behavior is predicted.
S Designates a product stream containing only solid
components.
Each product stream is flashed to determine its thermal state. Except for utility unit
operations (such as CONTROLLER, etc.) and those units noted in Table 10.2-3, all unit
operations support the option to separate the flashed product into vapor, liquid, decanted
water or solid phase products.
For example, if the user suspects that condensate may form in a compressor, the
compressor product may be divided into its vapor, liquid, and (if necessary) free water
phases, each with its own unique stream label.
Should PRO/II determine that the user incorrectly predicted the product phase, the phase
is overridden by the program.
A maximum of two liquid phases may exist in any product. There are two mechanisms for
separating these liquid phases: pure water decant modeling (the default) and rigorous
vapor-liquid-liquid equilibrium modeling. Section 20, Thermodynamic Data, describes the
procedure for setting up VLLE models. Refer to the PRO/II Reference Manual for a
complete discussion of phase equilibrium calculations.
If solids are present, they may be separated into a pure solid stream designated by the S
product. If S is not given, all solids exit the unit operation via the L phase. If L is also not
given, the solids are placed in the V phase. As shown in Table 10.2-3, PRO/II has six
special unit operations for special solid handling. Refer to those sections in the manual for
information on product phase handling.

Table 10.2-3
Unit Operations with Alternate PRODUCT
Statement Formulations
Section Unit type Section Unit type
1
11.4 MIXER P P 15.2 RFILTER3 P P
11.5 SPLITTER1 P P 15.3 FCENTRIFUGE3 P P
2 3
13.1 HX P P 15.4 CCDECANTER P P
13.2 HXRIG2 P P 15.5 DISSOLVER3

P P
2 3
13.3 LNGHX P P 15.6 CRYSTALIZER P P
15.1 DRYER3 P P 16.2 STCALC 2

P P
1 Products are not separated into phases.

2 Products may be separated into phases.
3 Special solids handling unit.
Example:
PROD V=22, L=23, W=24
PROD M=PR, S=RSDU
Unit Specific Data (required)

Each unit operation has keyword input specific to the functions of the unit operations.
Refer to the appropriate manual section (starting with Section 50) for a complete input
description.

METHODS SET=setid
Each unit operation can ‘point’ to a different thermodynamic setid, as defined in the
Thermodynamic Data Category (refer to Section 20). For example, it is possible to
describe one unit operation with SRK thermodynamics, and the next with NRTL liquid
activity coefficients, should it be appropriate to do so.
When the METHODS statement is omitted, the unit operation uses the default
thermodynamic set as identified in the Thermodynamic Data Category.
Most unit operations follow this format. There are variations in the input format for the
rigorous column unit operations and heat exchanger unit operations to allow multiple
thermodynamic sets within the same unit operation. Flowsheet control unit operations
(CONTROLLER, MVC and OPTIMIZER) and the HYDRATES and CALCULATOR units
do not permit thermodynamic set allocation.

Multiple thermodynamic sets must be used with care, particularly if the enthalpy method
changes as the stream leaves one unit operation and enters the next. PRO/II preserves
the flowing enthalpy and pressure. This may result in a change in stream temperature
when the new enthalpy method is used. If it is necessary to preserve the stream
temperature, an isothermal flash with the new enthalpy set should be placed between the
two unit operations.
Example:
METHOD SET=SET01

10.3 – FLOWSHEET
U
PARAMETERS
Nearly all unit operations in PRO/II allow flowsheet parameters to be cross-referenced.
Most unit operation parameters may be either DEFINED or SPECified relative to virtually
any other parameter value in the flowsheet. A large number of flowsheeting parameters
may be VARYed to meet user defined specifications or to optimize on a user defined
objective function. Parameters may also be CHANGED interactively and through
CASESTUDY. This cross-referencing feature dramatically increases the power and
flexibility of the PRO/II simulation program.
In all, there are six separate statement types for cross-referencing parameters. The
statement type used in the unit operation depends on the context and is clearly spelled out
in the appropriate unit operation section. The eight types are:
Table 10.3-1
Methods of Cross-Referencing Flowsheet Data
Statement Type Description
SPEC Fixes unit operation performance specification.
OBJECTIVE Fixes the objective function in an OPTIMIZER unit operation.
CONSTRAINT Specifies a domain of valid OPTIMIZER solutions.
DEFINE Defines unit operation parameter value.

VARY Allows an otherwise fixed flowsheet parameter to vary.
CHANGE Changes a flowsheet parameter value in a CASESTUDY.
PARAMETER Allows parametric cycling of an otherwise fixed flowsheet
parameter in a CASESTUDY.
RESULT Reports flowsheet parameter values in CASESTUDY cycles.
In addition to these six statement types, all parameters that may be CHANGED through
the CASESTUDY feature may also be CHANGED interactively. See Section 18.2.
Several PRO/II unit operations use the generalized specification format described here to
define the performance of the unit. They are:
FLASH, SPLITTER, COLUMN/SIDESTRIPPER, SHORTCUT, LLEX, CONTROLLER,
MVC, OPTIMIZER
In addition to generalized specifications, the OPTIMIZER also uses the OBJECTIVE and
CONSTRAINT statements. The OBJECTIVE and CONSTRAINTS have access to the
same flowsheet parameters as the SPEC statement and have nearly the same keyword
input format. They are discussed here together.
Chapter 10.3 FLOW SHEET PARAMETERS 149

Keyword Summary
Parameters Available for Cross-referencing
Tables 10.3-2A and B are lists of unit operation parameters available for cross-
referencing.
Table 10.3-2A Stream Cross-reference Availability

PRODUCT STREAM SPECIFICATIONS
1
STREAM <property> COLUMN P
(See definitions below) FLASH SHORT SPLIT

IO/SURE CHEM/LLEX
2 3 3
TEMP(unit) X P P XP P X P P
PRES(unit)
RATE(basis,unit)X X X X X X
RATE(basis,unit), COMP=i,j X X X X X
FRACTION(basis), COMP=i,j X X X X
PERCENT(basis), COMP=i,j X X X X
PPM(basis), COMP=i,j X X X X
GRAINS, COMP=i,j X X X
MOISTURE(basis) X X X X
LFRAC X
VFRAC X
WFRAC X
MW X X X X
API X X X
SPGR X X X
COMPRESSIBILITY X X X X
DENSITY(unit) X X X
MOLVOL(unit) X X X
HOTVOL(unit) X X X
ENTHALPY(unit) X X X X
ENTROPY (unit) X X X X
Cp X X X X
Cv X X X X
TBP(unit, vol%) X X X
TBP10(unit, vol%) X X X
TBP, ATPCT=pct X X X
D86(unit, vol%) X X X
D1160(unit, vol%) X X X
RVP(type 1) X X X
TVP(unit) X X X
4
VISCOSITY (unit)
P P X X X
4
CONDUCTIVITY (unit) P P X X X
SURFACE(unit) X X X
where: (basis) = M, W, LV or GV, (unit) = dimensional units
(type 1) = APINAPHTHA or APICRUDE or P323 or D323 or D4953 or D5191
1 Also available on internal stream 4 Must have PHASE=V or L or S on statement. Solid viscosities
2 Available as a DEFINE are blending values that contribute to overall slurry viscosities.
3 Specify tray temperature

Table 10.3-2A - Stream Cross-reference Availability
2 1
STREAM <property> P P COLUMN P P
(See definitions below) FLASH IO/SURE CHEM/LLEX SHORT SPLIT

ADEN X X X
ANEU X X X
ANIL(temp) X X X
AROM(frac, TOTA or RING) X X X
ASH(pct) X X X
ASPH(ppm, C5 or C7) X X X
ASUL(pct) X X X
BROM X X X
CABP(temp) X X X
CARB(pct) X X X
CCR X X X
CETA X X X
CETN X X X
CFPP(temp) X X X
CHRA X X X
CLOU(temp) X X X
3
FLPT and FLPO (temp) P P X X X
FRZP(temp) X X X
H2(pct) X X X
IRON(ppm) X X X
KVIS(kvis-unit) X X X
LUMI X X X
MEAB(temp) X X X
MERC(ppm) X X X
MOAB(temp) X X X
MON(C or L) X X X
NAPH(frac) X X X
NICK(ppm) X X X
NITR(frac, TOTA, or BASI or (NONE) X X X
NOAC X X X
NPHL(frac) X X X
OXYG(ppm) X X X
PARA(frac) X X X
PEN X X X
PHEN(ppm) X X X
POUR(temp) X X X
REFR(C20 or C70) X X X
RON(C or L) X X X
SMOK X X X
SOFT X X X
SPROP(i) X X X
SULF(pct) X X X
VANA(ppm) X X X
WAX(pct) X X X
WOBBE INDEX X X X

Table 10.3-2A - Stream Cross-reference Availability
WTAR(pct) X X X
WTNA(pct) X X X
WTPA(pct) X X X
1 Also available on internal streams (i)=1 to 9999
2 For those properties with qualifiers frac, ppm, or pct, any one of these three qualifiers may be specified. The
qualifier frac or ppm or pct indicated is the default for that property.
3. Open Cup (OC) and Closed Cup (CC) methods are the qualifiers associated to calculate flash point.
Table 10.3-2B
Stream Cross-reference Availability
1 2
STREAM <property> SPECS P P VARY CHANGE P P <reference>
2
(See definitions below) <property> P P
CONTROLLER, MVC, OPTIMIZER

TEMP(unit) X X X X
PRES(unit) X X X X
RATE(basis,unit) X X X X
RATE(basis,unit), COMP=i,j X X
FRACTION(basis), COMP=i,j X X
PERCENT(basis), COMP=i,j X X
PPM(basis), COMP=i,j X X
GRAINS, COMP=i,j X X
MOISTURE(basis) X X
LFRAC X X
VFRAC X X
WFRAC X X
MW X X
API X X
SPGR X X
DENSITY(unit) X X
MOLVOL(unit) X X
HOTVOL(unit) X X
ENTHALPY (unit) X X X X
ENTROPY (unit) X X X X
Cp X X X X
Cv X X X X
TBP(unit, vol%) X X
TBP10(unit, vol%) X X
TBP,ATPCT=pct, X X
D86(unit, vol%) X X
D1160(unit, vol%) X X
RVP(type 1) X X
TVP(unit) X X
VISCOSITY3(unit)
P P X X
CONDUCTIVITY3(unit) P P X X
SURFACE (unit) X X
where: (basis) = M, W, LV or GV, (unit) = dimensional units
(type 1) = APINAPHTHA or APICRUDE or P323 or D323 or D4953 or D5191
1 Includes SPEC, CONSTRAINT, and OBJECTIVE statements.

2 <reference> available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE, and CASESTUDY RESULT
statements.
3 Must have PHASE=V or L or S on statement. Solid viscosities are blended values that contribute to
overall slurry viscosities.

Table 10.3-2B - Stream Cross-reference Availability
2 1 2
STREAM <property> P P SPECS P VARY
P CHANGE P P <reference>
2
(See definitions below) CONTROLLER, MVC, OPTIMIZER <property> P P
KVIS(kvis-unit) X x
POUR(temp) X x
CLOU(temp) X x
FRZP(temp) X x
CFPP(temp) X x
FLPT and FLPO (temp) X x
RON(C or L) X x
MON(C or L) X x
CETA X x
CETN X x
REFR(C20 or C70)
U U X x
ANIL(temp) X x
AROM(frac, TOTA or RING)U U X x
WTAR(pct) X x
NAPH(frac) X x
WTNA(pct) X x
PARA(frac) X x
WTPA(pct) X x
NPHL(frac) X x
H2(pct) X x
CARB(pct) X x
CHRA X x
SMOK X x
LUMI X x
SULF(pct), X x
MERC(ppm), X x
ASUL(pct), X x
NITR(frac, TOTA, or BASI or NONE)
U U X x
OXYG(ppm) X x
CCR X x
NICK(ppm) X x
VANA(ppm) X x
IRON(ppm) X x
ASPH(ppm, C5 or C7) X x
PHEN(ppm) X x
ANEU X x
BROM X x
MEAB(temp) X x
CABP(temp) X x
MOAB(temp) X x
NHV(enthunits) X x
WAX(pct) X x
ASH(pct) X x
NOAC X x
SOFT X x
PEN X x
SPROP(i)
3
P P
X x
1 Includes OPTIMIZER SPECS, DEFINES and OBJECTIVES
2 For those properties with qualifiers frac, ppm, or pct, any one of these three qualifiers may be specified.
The qualifier frac or ppm or pct indicated is the default for that property.
3 (i) = 1 to 9999

PRES Stream pressure. This specification is not valid for internal column
streams.
RATE Total or component flowing rate on a molar(M), weight (W),
standard liquid volume (LV), or standard gas volume (GV) basis.
The default is molar basis.
FRACTION Component purity fraction, percent or parts per million on a molar
PERCENT (M), weight (W), standard liquid volume (LV), or standard gas
PPM volume (GV) basis. The default is molar basis.
GRAINS Component concentration measured as grains per 100 standard
cubic feet.
MOISTURE Weight ratio of water to solids. If solids content is zero, value of
MOISTURE is set to 0.0.
LFRAC Mole fraction of the total stream in the liquid, vapor, or water
VFRAC phase, respectively. LFRAC includes free water.
WFRAC
MW Stream molecular weight.
API Stream API gravity, liquid specific gravity (at 60 F / 60 F), standard
SPGR liquid density or molar liquid volume, respectively. DENSITY is in
DENSITY units of density, while MOLVOL is in units of mole volume.
MOLVOL
ENTHALPY The total stream flowing enthalpy in millions of energy/time units.
HOTVOL Total stream (vapor + liquid + water) volume at flowing conditions.
Default units are problem vapor volume units per unit time.
TBP True boiling point at 760 mmHg, TBP at 10 mmHg, D86 at 760
TBP10 mmHg, and D1160 at 10 mmHg distillations, respectively. Defaults
D86 to input temperature units. The percent at which the distillation
D1160 point is taken must be provided. Any multiple of 5% (i.e., 5, 15, 75,
etc.) or IP and EP may be given. For example, D86(10,F) specifies
the D86 in degrees F at 10 vol percent.
TBP,ATPCT The boiling point at 760 mmHg and at any percent. For example,
TBP,ATPCT=6 specifies the 6% distillation true boiling point at 760
mmHg.
RVP Reid vapor pressure reported as psi. The qualifier can be -
APINAPHTHA which uses the Figure 5B1.1 from the API Technical
Data Book, or APICRUDE, which uses Figure 5B1.2, or P323
which uses the ASTM D323-73 simulation, or D323 which uses the
ASTM D323-82 simulation, or D4953 which uses the ASTM
D4953-91 simulation, or D5191 which uses the ASTM D5191-91
simulation. The global default is normally APINAPHTHA, but may
be changed to any basis on the CALCULATION statement in the
General Data category.

TVP True vapor pressure measured at the temperature given on the
TVPBASIS entry on the CALCULATION statement in the General
Data Category (defaults to 100 F or equivalent). The qualifier
defaults to input pressure units.
VISCOSITY The absolute (dynamic) viscosity, thermal conductivity and surface
CONDUCTIVITY tension, respectively.
SURFACE
COMP=i,j When used together with RATE, i and j are the first and last
numbers in a range of components for a component flowing rate
specification. When used together with FRACTION, PERCENT,
PPM or GRAINS, i and j designate a range of components for a
purity specification. If j is not given, it defaults to i.
A description of the special refinery properties available is given in Table 9.2-2 of

Section 9.2, Streams with Assay Data.
Available unit operation cross-reference parameters are tabulated in Tables 10.3-3 A-H.
Refer to each unit operation section for a more comprehensive definition for each
parameter.

Table 10.3-3A
General Flowsheet Unit Operation Parameters Available for Cross-Referencing
2
<unit type> DESCRIPTION WITHIN UNIT CONTROL, CHANGE P P <reference>
3
<property> OPERATIONS MVC, <property> P P
OPTIMIZER
SPEC VARY DEFI SPEC VARY
FLASH
TEMP(unit) Temperature X X X X X
PRES(unit) Pressure X X X X X
DP(unit) Pressure drop X X X X X
DUTY(unit) Enthalpy increase X X X X X
SPEC Specification X X
ENTRAINMENT(idno) Entrainment X X X
ERATE(Mole) Pseudo stream rate X X X
PUMP
TEMP(unit) Temperature X X
DP(unit) Pressure increase X X X X X
WORK(unit) Work performed X X
HEAD(unit) Head X X
EFF Efficiency X X
PRATIO Pout/Pin
B B B B X X X X X
VALVE
TEMP(unit) Temperature X X
MIXER
SPLITTER
PRES (unit) Pressure X X X X X
SPEC(idno) Specification X x
COMPRESSOR4 P P
TEMP(unit) Comp. outlet temp. X X X X X

PRES(unit) Comp. outlet pres. X X X X X
DP(unit) Comp. pres. Incr. X X X X X
PRATIO Pout/Pin
B B B B X X X X X
WORK(unit) Delta H/Effadd B B X X X X X
HEAD(unit) Head X X
EFF Adiabatic efficiency X X X X X
POLY Polytropic X X X X X
efficiency
PIN(unit) Inlet pressure X X X
PDESIGN(unit) Maximum outlet X X X
pres.
PRSWITCH Calc. method X
switch
ACDP(unit) Aftercooler pres. X X X
Drop
ACTEMP(unit) Aftercooler temp. X X X
TEST(unit) Est. outlet temp. X

Table 10.3-3A
General Flowsheet Unit Operation Parameters Available for Cross-Referencing
<unit type> DESCRIPTION WITHIN UNIT CONTROL,
2
<property> OPERATIONS MVC, CHANGE P P <reference>
3
OPTIMIZER <property> P P
SPEC VARY DEFI SPE VARY

C
RPM Rotational speed X X X X
(RPM)
REFRPM Fan law reference X X X X
RPM
FANE Fan law efficiency X X X
exp.
FANH Fan law head X X X
exponent
EXPANDER
TEMP(unit) Outlet temperature X X
PRES(unit) Outlet pressure X X X X X
WORK(unit) Delta H * Efficiency X X X X X
HEAD(unit) Head X X
PRATIO Pout/Pin
B B B B X X X X X
EFF Adiabatic efficiency X X X X X
PIN(unit) Inlet pressure X X X
PDESIGN(unit) Minimum outlet pres. X X X
PIPE
DIAMETER(unit) Pipeline diameter X X X X X
VMAX(unit) Maximum fluid X X X X X
velocity
VAVG(unit) Average fluid velocity X X
DP(unit) Total pressure drop X X
U(unit) Heat transfer coef. X X X X
RROUGHNESS Pipe roughness (rel) X X X X
Pipe roughness (abs) X X X X
ROUGHNESS(unit)
Moody friction factor X X X X
FRICTION Flow efficiency X X X X
FLOWEFF(unit) Pipeline length X X X X
LENGTH(unit) Outside ambient X X
TAMBIENT(unit) temp.
Max. allowable pres. X X
DPMAX(unit) Drop
Total resistance X X
KFACTOR coefficient X
1 Includes SPEC, CONSTRAINT, and OBJECTIVE statements.

2 Applies to CASESTUDY CHANGE and PARAMETER statements and to INTERACTIVE changes.
3 <reference> available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE and CASESTUDY RESULT statements.
4 Always use at least five letters (COMPR) or the 4 letter alias (CMPR) when using a COMPRESSOR as a <reference> to avoid a
syntax conflict with “COMPONENT”.

Table 10.3-3B
Distillation Unit Operation Parameters Available for Cross-Referencing
<unit type> DESCRIPTION WITHIN UNIT CONTROL, CHANG <reference>
<property> OPERATIONS MVC, E2 P P <property>3 P P
OPTIMIZER
SPEC VARY DEFI SPEC1 P P VARY
COLUMN
REFLUX(basis, unit) Tray 1 net liquid X X X
RRATIO(basis) Reflux/overhead prod. X X X
DUTY(idno, unit) Enthalpy increase X X X X X X X
FEED(sid) Feed stream mole X

rate
DNAME(name) Duty name X X X X X X X
DRAW(sid) Draw stream mole X

rate
SPEC(idno) Specification X X X6
FF(tno) Percent of flood X6 X6
MFF Max. percent of flood X6 X6
QCOL Total Column heat X X X

leak
QCOND Condenser heat leak X X X
QREBO Reboiler heat leak X X X
QTRAY Heat leak per tray X X X
DCBU(tno,unit) Downcomer backup X6 X6
MDCBU(unit) Max. downcomer

backup X6 X6
CSAPPROACH(tno) Approach to eff.cap. X
FLAPPROACH(tno) Approach to flood X6
DIAM(tno, unit) Diameter X6 X6
MDIAM(unit) Maximum diameter X6

X6
PCOND(unit) Condenser pressure X X X
PTOP(unit) Top tray pressure X X X X6
DP(unit) Tray by tray pressure X X X

drop
Tray pressure X X
PRES(unit),TRAY=tno
DPCOL(unit) Overall pressure drop X X X X
TEMP(unit), Tray temperature X X X

TRAY=tno
FTRAY(idno) Feed tray number X X X

Table 10.3-3B
Distillation Unit Operation Parameters Available for Cross-Referencing
<unit type> DESCRIPTION WITHIN UNIT CONTROL, CHANG <reference>
<property> OPERATIONS MVC, E2 P P <property>3 P P
OPTIMIZER
SPEC VARY DEFI SPEC1 P P VARY
DTRAY(idno) Draw tray number X4 X4 X4
HTRAY(idno) Heater/cooler tray X X X

num.
EFACTOR Tray efficiency factor X X X X
PARATE(idno, unit) Pumparound rate X X X
PATEMP(idno, unit) Pumparound temp. X X X
PRODUCT(unit) Product rate X
TSRATE(unit) Reboiler rate X X X X
TSVFRAC(basis) Reboiler vapor X X X X

fraction
TSLFRAC(basis) Reboiler liquid-fraction X X X X
TSTEMP(unit) Reboiler temperature X X X X
TSDT(unit) Reboiler temperature X X X X

increase
TEFF(tno) Tray efficiency
SHORTCUT
FINDEX(idno) Fenske index X X X
SPEC (idno) Specification X X5 P P
LLEX
SPEC(idno) Specification X X
PTOP(unit) Top tray pressure X X
FEED(sid) Feed stream mole X X X
DRAW(sid) rate
DUTY(idno) Draw stream mole X X X
rate
Enthalpy increase X X X
1 Includes SPEC, CONSTRAINT and OBJECTIVE statements.
4 DTRAY is not available on VARY or CHANGE for the IO algorithm
5 CASESTUDY only. Not available for INTERACTIVE CHANGES.
6 In order to access any of the tray hydraulic variables, you must provide the mechanical information (trays, packing, etc.). In the case of
valve or bubble cap trays, you must also specify that the tray hydraulic calculations be performed during the calculations, this requires that
DPCALC be set to some value.

Table 10.3-3C
Heat Exchanger Unit Operation Parameters Available for Cross-Referencing
WITHIN UNIT CONTROL,
<unit type> 2
DESCRIPTION OPERATIONS MVC, CHANGE <reference>
<property>
P P
3
1
SPEC VARY DEFI SPEC
P P VARY
HX
DUTY(unit) Duty X X X X X
HDP(unit) Hotside pressure drop X X X X X
CDP(unit) Coldside pressure drop X X X X X
CTEMP(unit) Coldside outlet temp. X X X X
CLFRAC Coldside liq. Fraction X X X
CDTBB(unit) Cold temp. below bub. pt. X X X
CDTAD(unit) Cold temp. above dew pt. X X X X
HTEMP(unit) Hotside outlet temp. X X X X
HLFRAC Hotside liq. Fraction X X X X
HDTBB(unit) Hot temp. below bub. pt. X X X
HDTAD(unit) Hot temp. above dew pt. X X X
(2 sided HX only)
LMTD(unit) Log mean temp. diff. X X
ZMTD(unit) LMTD from zones X X
U(unit) Heat trans. coef. X X X X X
AREA(unit) Active area X X X X X
UA Area*Heat trans. coef. X X X X
FT LMTD correction factor X X X X X
HOCI(unit) Thot,out-Tcold,in
B B B B X X X X X
HICO(unit) Thot,in- Tcold,out
B B B B X X X X X
HOCO(unit) Thot,out-Tcold,out
B B B B X X X X X
TMIN(unit) Min(HOCI, HICO) X X X X X
MITA(unit) Min int temp approach X X X
TOLER Convergence X X X X X
Tolerance
HXRIG
DUTY(unit) Duty X X X X
U(unit) Heat trans. coef. X X
UEST(unit) Estimated heat trans. X X
Coefficient
AREA(unit) Area X X
UA(unit) U * area X X X
LMTD(unit) Log mean temp. diff. X X
STEMP(unit) Shellside outlet temp. X X X X X
TTEMP(unit) Tubeside outlet temp. X X X X X
TFOUL(unit) Tubeside fouling factor X X X X
SFOUL(unit) Shellside fouling factor X X X X
RFOUL(unit) Required fouling factor X X X
LNGHX
TDUTY(unit) Total duty X X
TEMP(cell, unit) Outlet temperature X X X X X
DUTY(cell, unit) Duty on single stream X X X X X
DP(cell, unit) Pressure drop X X X X
UA(unit) Total U * area X X
LMTD(unit) Log mean temp diff. X X
MITA(unit) Min int temp approach X X

Table 10.3-3D
Reactor Unit Operation Parameters Available for Cross-Referencing
<unit type> 2
<property>
P P
3
1
SPEC VARY DEFI SPEC P P VARY
CONVERSION
REACTOR
TEMP(unit) Outlet temperature X X X X X
CONVERSION Conversion fraction X X X X X
(idno)
STOIC(cno) Stoichiometric coef. X
EQUILIBRIUM
REACTOR
CONVERSION Conversion fraction X X
(idno)
GIBBS
PLUGFLOW
TEMP(unit) Reactor outlet temp. X X X X X
PRES(unit) Reactor outlet pres. X X X X X
DP(unit) Reactor pres.drop X X X X
PIN(unit) Reactor inlet pres. X X X
DPIN(unit) Reactor inlet dep. X X
X
DUTY(unit) Enthalpy increase X X X X
Tube diameter X X X
DIAMETER(unit) X
LENGTH(unit) Reactor length X X X X
TUBES Number of tubes X X X X
U (unit) Heat transfer coeff. X X X X
TIN(unit) Inlet temperature of X

external stream
TOUT(unit) Outlet of ext. stream X X X X
PEXP(idno) Pre-exponential X X X X
factor
ACTIVATION Activation energy X X X X
(idno)
CONVERSION Conversion fraction X X X X
(idno)
RDATA(idno) User-added real data X X X X

Table 10.3-3D
Reactor Unit Operation Parameters Available for Cross-Referencing
<unit type> 2
<property>
P P
3
1
SPEC VARY DEFI SPECP P VARY
CSTR
TEMP(unit) Reactor temp. X X X X X
PRES(unit) Reactor pressure X X X X X
DUTY(unit) Enthalpy X X X X X
increase X X
CONVERSION Conversion
(idno) fraction X X X X
PEXP(idno) Pre-exponential X X X X
factor
ACTIVATION Activation energy X X X X
(idno), X X X
X X X
VOLUME(unit) Reactor volume
TMIN(unit) Minimum temp. X X X
TMAX(unit) Maximum temp. X X X X
VMAX(unit) Maximum vol.
RDATA(idno) User-added real

data

Table 10.3-3E
Solids Handling Unit Operation Parameters Available for Cross-Referencing
<unit type> 2
<property>
P P
3
1
DRYER
RFILTER
DIAMETER(unit) Filter diameter X X X X X
WIDTH(unit) Filter width X X X X X
WDRATIO Width to diameter X X X X
DPMAX(unit) Maximum allowable X X X X X
RPM DP X X X X
PSUBMERGED Filter rotational speed X X X X X
ANGLE Percent submerged X X X X
PSOLIDS Angle of filtration X X X X X
POROSITY Pct. solids in cake X X X X X
FRES Porosity of cake X X X X X
SRES Resistance to filtrate X X X X X
CFACTOR Specific resistance X X X X X
SPHERICITY Cake compressibility X X X X X
DPARTICLE (unit) Sphericity of particle X X X X X
Particle diameter
FCENTRIFUGE
DIAMETER(unit) Centrifuge diameter X X X X X
RLIQUID Rliquid/Rcentrifuge
B B B B X X X X X
RCAKE Rcake/Rcentrifuge
B B B B X X X X X
RHEIGHT Hcent/Rcent
B B B B X X X X X
RPM Rotational speed X X X X X
PSOLIDS Pct. solids in cake X X X X X
POROSITY Porosity of cake X X X X X
MRES Resistance to filtrate X X X X X
SRES Specific resistance X X X X X
SPHERICITY Sphericity of particle X X X X X
DPARTICLE (unit) Particle diameter X X X X X
CCDECANTER
WRATIO Solid mass ratio X X X X X
LRATIO Liq. volumetric ratio X X X X X
RECOVERY % component liquid X X X X X
recovery
LDIA Liquid diameter X X X X
LRPM Liquid RPM X X X X
TYPE Centrifuge type X X X X

Table 10.3-3E
Solids Handling Unit Operation Parameters Available for Cross-Referencing
<unit type> 2
<property>
P P
3
1
DISSOLVER
TEMP(unit) Temperature X X X X
DT(unit) Temperature X X X X
PRES(unit) increase X X
DP(unit) Pressure X X X X
DUTY(unit) Pressure drop X X X X
AKC, BKC Enthalpy X X X X
increase X X
VOLUME(unit) Mass transfer
DRATE parameters X X X X X
DFRAC Volume of
crystallizer X X
Flowrate X X
Fraction
CRYSTALLIZER
TEMP(unit) Temperature X X X X
DT(unit) Temperature X X X X
PRES(unit) increase
DP (unit) Pressure X X X X
DUTY(unit) Pressure drop X X X X
RECIRC(unit) Enthalpy X X X X
SSRATIO increase X X X X
PRATE(unit) Recirculating X X X X X
PFRAC Saturation ratio X X X X X
Production rate
VOLUME(unit) crystal X X X X X
MT(unit) Fraction solute to
crystallize X X X X X
Crystallizer X X X X X
volume
Magma density
MELTER/
FREEZER
DT(unit) Temperature X X X X X
increase
MELFRAC Melt Fraction X X X X X
(idno)
FREFRAC Freeze Fraction X X X X X
(idno)
DUTY Enthalpy X X
increase


Table 10.3-3F
Utility Unit Operation Parameters Available for Cross-Referencing
<unit type> 2
<property>
P P
3
1
CALCULATOR
R(idno) Calculator result X X X X
P(idno) Calculator X
parameter
STCALC
TEMP(prno, unit)4 P Product X X X
PPRES(prno, unit) temperature X X X
DT(prno, unit) Product pressure X X X
Temperature
DTBB(prno, unit) increase X X X
Temp. below
DTAD(prno, unit) bubble pt. X X X
Temp. above
DP(prno, unit) dew pt. X X X
FACTOR(fdno) Pressure drop X X X
DUTY(unitbasis) Feed co-factor X X X X
Net enthalpy
FOVHD(idno, increase X X X
basis)5P P Fraction
FBTMS(idno, overhead X X X
basis) X X X
FPROD(idno, Fraction bottoms X X X
basis) Fraction product X X X
ROVHD(idno, Rate overhead X X X
basis) Rate bottoms X X X
RBTMS(idno, Rate product
basis) Composition X X X
RPROD(idno, overhead
basis) Composition X X X
XOVHD(idno, bottoms
basis) Composition
product
XBTMS(idno,
basis)
XPROD(idno,
basis)
CONTROLLER
SPEC Specification X X6
P P
MVC
SPEC(idno) Specification X X6
P P
OPTIMIZER
6
SPEC(idno) Specification X XP P
CONSTRAINT(idno) Constraint
4 prno refers to the product number: OVHD=1, BTMS=2, and PROD=3.
5 idno refers to spec value in sequence given on the FOVHD (or FBTMS, etc.) statement.
6 CASESTUDY only. Not available for INTERACTIVE CHANGES.

Table 10.3-3G
Utility Unit Operation Parameters Available for Cross-Referencing
<unit type> 2
<property>
P P
3
1
PHASE
ENVELOPE
TC(unit) Critical temperature X X X
PC(unit) Critical pressure X X X
TCT(unit) Cricondentherm X X X
temperature
PCT(unit) Cricondentherm X X X
pressure
TCB(unit) Cricondenbar X X X
temperature
PCB(unit) Cricondenbar X X X
pressure


Table 10.3-3H
Non-steady State Unit Operation Parameters
<unit type> 2
DESCRIPTION OPERATIONS MVC, CHANGE <reference
<property>
P P
OPTIMIZER >
<property>
SPEC VARY DEFI SPEC1 P P VARY 3
P P
DEPRESSURING
PFINAL(unit) Final vessel pressure X X X X X
PRELIEF(unit) Relief vessel pressure X X X X
FINALTIME(unit) Final simulation time X X X X X
RELIEFTIME Vessel relief time X X X X
(unit)
DTIME(unit) Duration of relief X X X X X
CONSTANT(unit) Valve constant X X X X
PBACK (unit) Valve back-pressure X X X X
CV Valve coefficient X X X X
CF Critical flow factor X X X X
IWAREA(unit) Initial wetted area X X X X
HTAREA(unit) Heat transfer area X X X X
HTC(unit) Heat transfer coef. X X X X
HTCFAC(unit) HTC factor X X X X
HTCVAP(unit) Vapor phase HTC X X X X
HTCLIQ(unit) Liquid phase HTC X X X X
C1 Heat model coef. 1 X X X X
TEMP(unit) Final fluid temp. X X
DUTY(unit) Final heat duty X X
VRATE(unit) Final vent gas rate X X
VOLUME Total vessel volume X X X X
HOLDUP Liquid holdup X X X X
DIAMETER Vessel diameter X X X X
VOLFACTOR Volume correction X X X X
factor
LIQHEIGHT Height of holdup liquid X X X X
WEIGHT Weight of vessel X X X X
CP Specific heat of vessel X X X X
HORIZONTAL Tangent-tangent X X X X
vessel length
VERTICAL Tangent-tangent X X X X
vessel height
TSTEP Calculation time step X X X X
ISENTROPIC expansion efficiency X X X X
QFAC Heat scaling factor X X X X
AFAC Area scaling factor X X X X


Table 10.3-3I
Thermodynamic Parameters
CONTROL, MVC,
property DESCRIPTION OPTIMIZER CHANGE
SPEC VARY
KIJ(i,j) SRK or PR binary interaction X X
parameter for ij pair
TC(i) Critical temperature for X X
component I
PC(i) Critical pressure for X X
component I
ACEN(i) Acentric factor for X X
component I
1
STC(i,j) P P Scaling factor for critical X X
temperatures of components
i through j
1
SPC(i,j) P P Scaling factor for critical X X
pressures of components i
through j
1
SACEN(i,j) P P Scaling factor for acentric X X
factors of components i
through j
1 The same scaling factor is applied to components i through j.

10.4 – SPECS,
U
CONSTRAINTS AND
OBJECTIVES
Keyword Summary
Generalized Specification Format
Specifying a stream property:
SPEC STREAM=sid, <property 1>, PHASE=T or L or V or S,
U U
WET or DRY,
U U
{<operator>, <reference>, <property 2>},

VALUE=value, {ATOL=value or RTOL=value}
Specifying a column-internal stream property:
SPEC COLUMN=uid or SIDESTRIPPER=uid, <property 1>,
PHASE=L or V, TRAY=value, WET or DRY,
U U U U

Specifying a unit operation parameter:
SPEC <unit type=sid>, <property 1>,
Optimizer Objective Functions

Same as SPEC statement except use:
OBJECTIVE instead of SPEC
MAXI or MINI instead of VALUE=value
RTOL instead of ATOL or RTOL
Optimizer Constraints
Same as SPEC statement except use:
CONSTRAINT instead of SPEC
MAXI=value and/or MINI=value

instead of VALUE=value

Chapter 10.4 SPECS, CONSTRAINTS AND OBJECTIVES 169

General Information
Generalized SPEC Statement
The SPEC statement defines a stream property, a tray vapor or liquid property, or a unit
operation parameter. Each SPEC may be given as an absolute quantity (e.g., set the rate
of stream 1 to 100 lbs/hr) or as a relative quantity (e.g., set the rate of stream 1 to twice
that of stream 2). SPECS are available for the following unit operations:
FLASH, SPLITTER, COLUMN/SIDESTRIPPER, SHORTCUT, LLEX,
CONTROLLER, MVC, and OPTIMIZER
Number of SPEC Statements - Degrees of Freedom

There is always a one-to-one relationship between the degrees of freedom (or variables)
and the number of SPEC statements. Degrees of freedom are either identified with a
VARY statement or, in some cases, are inherent in the particular unit operation.
A CONTROLLER has exactly one degree of freedom; i.e., there is exactly one upstream
variable defined by the VARY statement, and one corresponding specification defined by
the SPEC statement. As its name implies, the Multi Variable Controller (MVC) has an
unlimited number of degrees of freedom. For each variable defined by a VARY statement,
there is exactly one specification defined by a SPEC statement.
The OPTIMIZER is different in that the optimum is determined by varying any number of
flowsheet parameters. However, the number of degrees of freedom (VARY statements)
must always be equal to or greater than the number of SPECS + CONSTRAINTS. The
number of CONSTRAINTs that may be defined is independent of the number of variables.
The number of degrees of freedom in COLUMNS and SIDESTRIPPERS is determined by
the number of product streams. Each variable may be defined in a VARY statement,
although a shorthand notation allows multiple variables to be defined on a single VARY
statement. PRO/II requires exactly one SPEC statement for each variable given.
FLASHES inherently have two degrees of freedom that establish a thermodynamic state.
When using a simple FLASH (ADIA, ISOT, ISEN, DEW, DEWW, DEWH or BUBB), both
thermodynamic variables are automatically set; thus, no SPEC statements are allowed.
When using the TPSPEC statement, only one thermodynamic variable is set, permitting
one SPEC statement to be given.
The SHORTCUT distillation has two degrees of freedom for the first separation into two
products, and two additional degrees for each additional product. Thus,
NSPSHORTCUT = 2 * (NOP - 1)
B B
where NSP is the number of SPECS and NOP is the number of products.
The SPLITTER has one degree of freedom for the first separation into two products, and
adds one additional degree for each additional product. Thus,
NSPSPLITTER = NOP - 1
B B
CONSTRAINT and OBJECTIVE Statements

The OPTIMIZER CONSTRAINT statement defines the domain of acceptable flowsheet
solutions. The OPTIMIZER OBJECTIVE statement defines the function to be minimized

or maximized. CONSTRAINT and OBJECTIVE statements can access precisely the
same flowsheet parameters as the SPEC statement for CONTROLLERS, MVCs, and
OPTIMIZERS, and is therefore included in this discussion. For more detailed information,
refer to Section 133, Flowsheet Optimizer .
Input Description
Generalized Specification Format
Specifying a stream property:
U U
WET or DRY,
U U

See Tables 10.3-2 A-B for valid STREAM <property >entries.
Specifying a column-internal stream property:
U U U U

Specifying a unit operation parameter:
See Tables 10.3-3 A-H for valid unit operation <property> entries. The available
dimensional units for each property are those specified in Table 4.2 for the appropriate
unit class.
The entries on the SPEC statement are order dependent. Each statement part, if given,
must appear in the correct order:
SPEC <primary>, <property 1>, part 1 (required)
<operator>, part 2 (optional)
<reference>, <property 2>, part 3 (conditional)
VALUE=value, part 4 (required)
{<tolerance>} part 5 (optional)
However, within a statement part, entries may appear in any order.
<primary> and <reference> entries

See Tables 10.3-2 A-B for valid STREAM <property >entries.
See Tables 10.3-3 A-H for valid unit operation <property> entries.
The <primary> entry identifies the stream, internal column stream, or unit operation
affected by the specification. The <property 1> entry identifies the unit operation
parameter or stream property being specified. Similarly, the <reference> entry identifies
the reference stream or unit operation that supplies the value, and the <property 2> entry

identifies the stream property or unit operation parameter that supplies the value. If the
<primary> entry is not given, it defaults to the current unit operation. All specifications
made in a CONTROLLER, MVC, or OPTIMIZER must have a <primary> entry.
Part 3 is required if an <operator> entry is present; otherwise it is disallowed.
Either <reference> or <property 2> (but not both) may be omitted from part 3, in which
case it defaults to the corresponding part 1 entry. See the paragraph on automatic
referencing below.
When the specification is made relative to the total composite feed to the unit operation,
the REFFEED keyword is used in place of STREAM.
PRO/II issues a warning message if <property 1> and <property 2> have different
dimensional units, but does not terminate the run.
<operator> entry
PLUS (aliases are SUM and ADD)
MINUS (aliases are DIFFERENCE and SUBTRACT)
TIMES (alias is MULTIPLY)
DIVIDE (aliases are RATIO and OVER)
The <operator> is entered when the specification VALUE is supplied on a relative basis of
<property 1> with respect to <property 2>.
Table 10.4-1
Operator Functions
<operator> function
PLUS, SUM, ADD <property 1> + <property 2>
MINUS, DIFF, SUBT <property 1> - <property 2>
TIMES, MULTIPLY <property 1> * <property 2>
DIVIDE, RATIO, OVER <property 1> / <property 2>
none <property 1> (Use <property 1> unmodified)
Referencing of Entries From Part 1 to Part 3

For clarity, many users may choose to completely define part 3 (<reference > and
<property 2>) when making specifications that are relative. However, as a convenience,
many of the items defined in part 1 are automatically transferred to part 3.

Table 10.4-2
Automatic Referencing of Specifications
Column Internal Streams Unit Operations
Streams
TRAY PHASE <unit type>=uid
PHASE <property> parameter (idno)
COLUMN dimensions dimensions
<property> basis
dimensions vol%
basis COMP=a,b
vol% WET/DRY
COMP=a,b
WET/DRY
The tables above list the items referenced from part 1 to part 3 unless overridden by the
user. No information is referenced if a <unit type> is defined in one part and a STREAM is
defined in the other.
VALUE Entry
VALUE = value
This is the actual value the flowsheet needs to attain (within tolerance) before PRO/II will
accept the flowsheet as being solved. In the following example, the stream BT must have
an RVP of 12.0 before solution is reached:
SPEC STREAM=BT, RVP, VALUE=12.0
<tolerance> Entries
{ATOL=value or RTOL=value}
Tolerances may be given on an absolute or relative basis. For example, any value in the
range 99.9 ≤ value ≤ 100.1 satisfies the following absolute tolerance:
SPEC ...,VALUE=100, ATOL=0.1
Similarly, any value in the range 90 ≤ value ≤ 110 satisfies the following relative
tolerance:
SPEC ..., VALUE=100, RTOL=0.1
If a value is not supplied for ATOL and RTOL, either a default value of 0.01 or the
value given by the MISC keyword on the TOLERANCE statement in the General Data
category of input will be used.

Examples
Stream rate specifications:
Stream rates may be set on any basis using generalized specifications. Several examples
follow.
Set the flowrate of stream L1 to 25 standard liquid volume units.
SPEC STREAM=L1, RATE(LV), VALUE=25
Set the flowrate of stream W2 to 1000 weight units.
SPEC STREAM=W2, RATE(WT), VALUE=1000
Set the flowrate of stream C4 to the current value of R(3) from CALCULATOR C1.
SPEC STREAM=C4, RATE(W), DIVIDE, CALC=C1, R(3), &
VALUE=1
Component recovery specifications:

Set the flowrate of stream M3 such that the total rate of components 3 plus 4 plus 5 is
1000 moles.
SPEC STREAM=M3, COMP=3, 5, RATE, VALUE=1000
Set the flowrate of stream C1 such that the rate of component 3 is 25% of the component
3 rate in stream FD. Note that the second “COMP=3, RATE” is optional.
SPEC STREAM=C1, COMP=3, RATE, RATIO, STREAM=FD, &
COMP=3, RATE, VALUE=0.25
Set the flowrate of stream C2 such that the weight basis recovery of components 6
through 12 is 95% of components 6 through 12 in the total feeds to the unit.
SPEC STREAM=C2, COMP=6,12, RATE(W), RATIO, REFFEEDS,
VALUE=0.95
Stream property examples:

Set temperature of stream 12 to be 5 K higher than the temperature of stream 10. Note
that TEMPERATURE(K) is used by default for the <property 2> entry.
SPEC STREAM=12, TEMPERATURE(K), MINUS, STREAM=10, &

VALUE=5
Set the mole fraction of component 3 in stream C3 to 0.01.
SPEC STREAM=C3, COMP=3, FRACTION, VALUE=0.01
Set the Reid vapor pressure of stream NAPH to 11.5 0.1, as calculated by the API
Technical Data Book naphtha nomograph.
SPEC STREAM=NAPH, RVP(APINAPHTHA), VALUE=11.5, &
ATOL=.1

Stream special properties examples:
Set the kinematic viscosity to be 0.7320 CST at the reference temperature (REFT) of
122.0 F for stream C4.
SPEC STREAM=C4, KVIS(CST), REFT(F)=122.0, VALUE=0.7320
Set the cloud point temperature to be 60.0 C for stream C5.
SPEC STREAM=C5, CLPT(C), VALUE=60.0
Set the sulfur mass fraction to be 0.002 for stream C6.
SPEC STREAM=C6, SULF, VALUE=0.002
Set the flash point temperature to be 333.15 K for stream C7.
SPEC STREAM=C7, FLPT(K), VALUE 333.15
Open Cup (OC) and Closed Cup (CC) methods are the qualifiers associated
to calculate flash point.
Tray internal stream specifications:

Specify the rate of liquid from tray 1 as half the standard liquid volume rate of all feeds to
the column.
SPEC TRAY=1, PHASE=L, RATE(LV), REFFEEDS, &
RATIO, VALUE=0.5
The next specification is made from within the column input. It sets the V/L ratio for tray 5
on a standard liquid volume basis to 2.5 0.15%.
SPEC PHASE=V, TRAY=5, RATE(LV), RATIO, &
PHASE=L, TRAY=5, RATE(LV), VALUE=2.5, &
RTOL=.0015
The same specification made from a CONTROLLER on COLUMN UID=C1 is:
SPEC COLUMN=C1, PHASE=V, TRAY=5, RATE(LV), RATIO, &
PHASE=L, TRAY=5, RATE(LV), VALUE=2.5, &
RTOL=.0015
Unit operation specifications:

Set the pressure of flash drum F1 at 150 psia. Note that a DEFINE statement must be
used instead of this SPEC statement when making the specification within the input block
of the flash drum itself.
SPEC FLASH=F1, PRESSURE(PSIA), VALUE=150
Specify the work calculated by compressor COM1 as 90 percent of the work produced by
expander EXP2.
SPEC COMPRESSOR=COM1, WORK, RATIO, &
EXPANDER=EXP1, WORK, VALUE=0.9

Examples of automatic referencing:
The following pairs of specifications are equivalent. They demonstrate the automatic
referencing of <part 1> to <part 3>.
In this example, STREAM=1 and RATE are automatically referenced.
SPEC STREAM=1, COMP=2, RATE, RATIO, COMP=3, &
VALUE=0.9
SPEC STREAM=1, COMP=2, RATE, RATIO, STREAM=1, &
COMP=3, RATE, VALUE=0.9
In the next example, COMP=5 and RATE are automatically referenced.
VALUE=3
COMP=5, RATE, VALUE=3
OPTIMIZER OBJECTIVE Functions

The OBJECTIVE statement uses the same format as the SPEC statement with the
following differences:
OBJECTIVE instead of SPEC
MAXI or MINI instead of VALUE=value
RTOLER instead of ATOL or RTOL
OBJECTIVE functions are flowsheet or calculated parameters to be minimized or
maximized. All parameters available for the SPEC statement are also available as
OBJECTIVE functions. See Section 133, Flowsheet Optimizer, for more details on
OPTIMIZER OBJECTIVE statements.
OPTIMIZER CONSTRAINT
The CONSTRAINT statement uses the same format as the SPEC statement with the
following differences:
CONSTRAINT instead of SPEC
MAXI=value and/or MINI=value
instead of VALUE=value
In the OPTIMIZER, CONSTRAINT statements define the bounds of acceptable flowsheet
solutions. All parameters available for the SPEC statement are also available as
CONSTRAINTS. See Section 133, Flowsheet Optimizer, for more details on OPTIMIZER
CONSTRAINT statements

10.5 – DEFINE
U
Keyword Summary
Reference to stream properties:
DEFINE <property> AS STREAM=sid, <property 1>,
{<operator>,
value or <reference 2>, <property 2>}
Reference to unit operation parameters:
DEFINE <property> AS <unit type>=uid, <property 1>,
{<operator>,
General Information
The DEFINE statement sets unit operation parameters based on the results of previously
computed unit operations and streams. DEFINE statements differ from SPEC statements
in the following way: A SPEC statement specifies that a unit operation result will have the
given value when the unit is solved while a unit operation or upstream stream parameter
will be adjusted to meet that result. A DEFINE statement adjusts a unit operation
parameter directly.
For example, in an isobaric FLASH unit operation, a composition specification made on a
product stream is described on a SPEC statement because PRO/II internally varies the
temperature to meet the stream specification.
FLASH UID= EX1, NAME= SPEC EXAMPLE
FEED 1
PROD V= 2, L= 3
TPSPEC PRES= 50
SPEC STREAM= 3, FRAC, COMP= 1, VALUE= 0.01
$ TEMPERATURE VARIES TO MEET STREAM 3
$ COMPOSITION SPECIFICATION
However, to fix the temperature relative to another calculated stream temperature, PRO/II
requires the DEFINE statement to set the value normally fixed on the ISOTHERMAL
statement.
FLASH UID= EX2, NAME= ISO
FEED 1
PROD V= 2, L= 3
ISOTHERMAL PRES= 50, TEMP= 150
$ PRESSURE, TEMPERATURE FIXED

Chapter 10.5 DEFINE 177

FLASH UID= EX3, NAME= DEFINE EXMPL
FEED 3
PROD V= 4, L= 5
ISOTHERMAL PRES= 50
DEFINE TEMP, AS, STREAM= 3, TEMP, MINUS, 10.0
$ PRESSURE FIXED AT 50, TEMPERATURE FIXED AT
$ STREAM 3 TEMPERATURE MINUS 10 DEGREES.
Most unit operation input parameters not set on a SPECIFICATION statement may be set
on the DEFINE statement. The DEFINE statement will override given parameter
entries; e. g., PRO/II will issue a warning message when a DEFINE statement is used to
supply an overhead product rate previously given on a PRODUCT statement. See Table
10.3-2 A-B for a complete list of stream <properties> accessible by the DEFINE
statement, and Table 10.3-3 A-H for a complete list of unit operation <reference>
<properties> accessible by the DEFINE statement. In addition, the valid DEFINES for
each unit operation are documented in the corresponding unit operation section in this
manual.
Input Description
The syntax of the DEFINE statement is an extension of the SPECIFICATION
statement:
General form:
DEFINE <property> AS
<reference 1>, <property 1>,
{<operator>,
Reference to stream properties:
DEFINE <property> AS STREAM=sid, <property 1>,
{<operator>,
Reference to unit operation parameters:
DEFINE <property> AS <unit type>=uid, <property 1>,
{<operator>,
<reference 2> may be a stream or unit operation regardless of what type

<reference 1> is.

<property> Any <property> shown in Table 10.3-2 A-B and10.3-3 A-H
as accessible to DEFINE statements.
<stream id> and Any <reference> property shown in Table 10.3-2 A-B.
<property i>
A<unit type>and Any <reference> property shown in Table10.3-3 A-H.
<property i>
<operator> Any <operator> shown in Table 10.5-1.

Value A numeric value.
Table 10.5-1
Operator Functions
<operator> function
PLUS, SUM, ADD <property 1> + <property 2>
MINUS, DIFF, SUBT <property 1> - <property 2>
TIMES, MULTIPLY <property 1> * <property 2>
DIVIDE, RATIO, <property 1> / <property 2>
OVER <property 1> (Use <property 1>
none unmodified)
The DEFINE statement is order dependent, similar to the SPECIFICATION statement.

The <reference 1> and <property 1> entries can appear in either order, provided they
follow the AS keyword. If given, <reference 2> and <property 2> may be given in either
order, provided they follow the <operator> entry.
The <reference 1> entry usually is required, but may be omitted if <property 1> is a
number. Unlike the SPECIFICATION statement, there is no automatic referencing from
<property 1> to <property 2>.
The DEFINE statement retrieves only the current values of <property 1> and
U U
<property 2>. It is possible for retrieved values to differ from final flowsheet solution
values if they are updated by another unit operation after being retrieved.
Chapter 10.5 DEFINE 179

Examples
1: Isothermal flash.
Define the flash temperature and pressure of flash drum FL1 relative to streams S1 and
S2, respectively.
FLASH UID= FL1
FEED F1
PROD M= M1
ISOTHERMAL
DEFINE TEMP AS STREAM= S1, TEMP
DEFINE PRES AS STREAM= S2, PRES, MINUS, 10
2: Heat exchanger
Define the pressure drop on the COLD side of heat exchanger HX1 as the difference
between the pressures of streams S1 and S2.
HX UID= HX1
HOT FEED= FH1, M= PH1
COLD FEED= FC1, M= PC1
OPERATION DUTY=10.0
DEFINE CDP AS STREAM=S1, PRES, MINUS, &
STREAM=S2, PRES
3: Compressor.
Define polytropic efficiency as a CALCULATOR result.
COMPRESSOR UID=CMP1
FEED 1
PROD V=2
OPERATION PRES=300
DEFINE POLY AS CALCULATOR=CAL1, R(1)

10.6 – VARY AND
U
CHANGE
STATEMENTS
Keyword Summary
CONTROLLER format (Section 17.1):
VARYSTREAM=sid or <unit type>=uid or THERM=setid,
<parameter>,
{MINI=value, MAXI=value, STEPSIZE=value},
{EST2=value or PCT2=value}
MVC format (Section 17.2):
VARYSTREAM=sid or <unit type>=uid or THERM=setid,
<parameter>,
{EST2=value or PCT2=value},
{SFACTOR=value}
OPTIMIZER format (Section 17.3):
VARY STREAM=sid or <unit type>=uid or THERM=setid,
<parameter>,
{RTOLER=value, RPERTURB=value, APERTURB=value}
COLUMN format (Section 12.1):
VARY FEED=sid,..., DRAW=sid,..., DUTY=idno,...
LLEX format (Section 12.9):
VARYDUTY=idno,..., DRAW=sid,..., FEED=sid,...
CASESTUDY format (Section 18.2):
CHANGE STREAM=sid or <unit type>=uid or THERM=setid,
<parameter>,
VALUE=value
General Information
VARY and CHANGE Statements
In general, most non-integer stream and unit operation input parameters may
be varied on a VARY statement. Table 10.3-3 A-H tabulates all the unit operation
Chapter 10.6 VARY AND CHANGE STATEMENTS 181

parameters accessible to the CONTROLLER, MVC, and OPTIMIZER VARY statements.
Stream properties also are accessible to these unit operations as shown in Table 10.6-1.
In addition, the COLUMN and LLEX unit operations permit parameters to be varied
internal to that unit operation.
Table 10.3-3I shows the thermodynamic parameters available to these unit operations. It
is important to note that varying thermodynamic parameters directly changes the
parameters values in the VLE K-value calculations in the first instance. If any other
property calculations in the same method set use the VLE K-value data (i.e., the user has
not supplied individual sets of data for enthalpy, entropy, etc.) then the results of these
calculations will also change to reflect the new parameter values. Thermodynamic
parameters may be varied for SRK or PR K-values calculations only. Stream properties
also are accessible to these unit operations as shown in Table 10.6-1. In addition, the
COLUMN and LLEX unit operations permit parameters to be varied internal to that unit
operation.
The CHANGE statement is a feature of CASESTUDY. All unit operation and stream and
thermodynamic parameters accessible to the CONTROLLER statement are also
accessible to the CHANGE statement.
Table 10.6-1
<parameters> Accessible to the VARY
and CHANGE Statements
From CONTROLLER, MVC and OPTIMIZER VARY Statements and
CASESTUDY CHANGE Statements
Streams TEMP
PRES
RATE (Mole rate)
nits Extensive, see Table 10.3-3A-H
Thermodynamic See Table 10.3-3I
From COLUMN and LLEX VARY Statements and CASESTUDY CHANGE
Statements
COLUMN DUTY
(Section 12.1) FEED (Feed mole rate)1P P
2
DRAW (Draw mole rate) P P
LLEX DUTY
1
(Section 12.9) FEED (Feed mole rate) P P
DRAW (Draw mole rate)
1 Use CHANGE STREAM construct for CASESTUDY.

2 Not available on merged IO columns if draw is a sidestripper feed.

Input Description
CONTROLLERS, MVCs, and OPTIMIZERS
CONTROLLER format (Section 17.1):
<parameter>,
MVC format (Section 17.2):
<parameter>,
{SFACTOR=value}
OPTIMIZER format (Section 17.3):
<parameter>,
{MINI=value, MAXI=value, {STEPSIZE=value},
{RTOLER=value, RPERTURB=value, APERTURB=value}
STREAM=sid Any stream <parameter> shown in Table 10.6-1.

and <parameter>
Or
<unit type>=uid Any unit operation <parameter> shown as accessible to
and <parameter> the VARY statement in Table 10.3-3 A-H.
or
THERM=setid Any THERMODYNAMIC parameter given in Table 10.3-
and <parameter> 3I. When used in conjunction with a CONTROLLER, MVC,
or OPTIMIZER, a RETURNUNIT keyword must be
provided in that unit operation.
MINI The minimum or maximum value that the control
MAXI parameter may be adjusted to. OPTIMIZER VARY
statements require both MINI and MAXI entries.
STEPSIZE The maximum allowable change in the control parameter
from iteration to iteration.
EST2 This entry defines the value for the control parameter on
PCT2 the second iteration. EST2 is the actual value for the
second guess, while PCT2 is the percentage change from
the initial value. The default values are PCT2=2 for the
CONTROLLER and PCT2=10 for the MVC.

SFACTOR Scale factors for MVC. See Section 17.2 for details.
RTOLER Relative tolerance for the OPTIMIZER. See Section 17.3
for details.
RPERTURB Sets the perturbation step size for the OPTIMIZER. See
APERTURB Section 17.3 for details.
Columns and Liquid-Liquid Extractors

COLUMN format (Section 12.1):
VARY FEED=sid,..., DRAW=sid,..., DUTY=idno,...
LLEX format (Section 12.5):
VARYFEED=sid,..., DRAW=sid,..., DUTY=idno,...
FEED Vary feed “sid” mole rate in a COLUMN (see Section 12.1)
or LLEX (see Section 12.9).
DRAW Vary draw “sid” rate in a COLUMN or LLEX. See Sections
12.1 and 12.9 for more details.
HEAT Vary the duty in COLUMN or LLEX heater or cooler “idno”.
See Sections 12.1 and 12.9 for more details.
CASESTUDY
CASESTUDY format (Section 18.2):
CHANGE STREAM=sid or <unit type>=uid, <parameter>,
VALUE=value
STREAM=sid Any stream <parameter> shown in Table 10.6-1.
and <parameter>
Or
<unit type>=uid Any unit operation <parameter> shown as accessible to the
and <parameter> VARY statement in Table 10.3-3.
or
THERM=setid Any THERMODYNAMIC parameter given in Table 10.3-3I.
and <parameter>
VALUE New <parameter> value for CASESTUDY.
Interactive Changes
In general, all stream and unit parameters which may be adjusted by a VARY or CHANGE
statement may also be changed interactively. Note, however, that each parameter may

be adjusted in only one place; i.e., if a parameter is adjusted by a CONTROLLER VARY
statement, it is no longer available to be changed interactively. Refer to Section 18.3,
Interactive Execution, for more information relative to the PRO/II interactive feature.
Thermodynamic parameters are not available to the interactive change facility.
Examples
1: CONTROLLER and a COLUMN
Vary the top pressure in column C1 to achieve a composition specification.
COLUMN UID= C1
PSPEC PTOP= 50
...
CONTROLLER UID= CON1
VARY COLUMN= C1, PTOP
SPEC STREAM= S1, FRAC, COMP=1, 4, VALUE= 0.05
2: COLUMN in a CASESTUDY
Change the top pressure in column C1 in a CASESTUDY specification.
COLUMN UID= C1
PSPEC PTOP= 50
...
CASESTUDY OLDCASE= BASECASE
CHANGE PTOP, VALUE=60
3: CONTROLLER and a FLASH

Vary the SRK binary interaction parameter for ethane-ethylacrylate to achieve a
composition specification on the ethylacrylate in a flash product stream. Note that the
RETURNUNIT keyword is provided as required. This keyword specifies the FLASH unit as
the first unit that the CONTROLLER will affect in the calculation sequence. Also, note that
the input reprint shows the original value of the SRK interaction parameter, and not the
value used to meet the specification. This is because the input reprint is generated before
the calculation sequence begins.
TITLE CASEID=BASECASE
PRINT INPUT=ALL,STREAM=PART
COMP
LIBID 1,H2O/2,C2/3,C3/4,ETACA
THERMO
METHOD SYSTEM=SRK,SET=SET01,DEFAULT
STREAM
PROP STREAM=1,TEMP=100,PRES=100,COMP=100/100/100
PROP STREAM=1A,TEMP=100,PRES=100,COMP=4,100

UNIT
MIXER
FEED 1,1A
PROD M=2
FLASH UID=FL1,KPRINT
FEED 2
PROD V=1V1,L=1L1
ISO PRES=100, TEMP=100
METHOD SET=SET01
CONTROLLER
SPEC STREAM=1V1,COMP=4,FRAC(M),VALUE=0.0125
VARY THERM=SET01, KIJ(2,4), MINI=0.00001, MAXI=1.5
CPARAMETER IPRINT,RETURNUNIT=FL1
END

10.7 – PROCEDURE
U
DATA
Keyword Summary
PROCEDURE DATA
Procedure Header (required)

PROCEDURE ID=text, NAME=text
Procedure Setup (optional)

PDATA name1, name2, ...
PARAMETER MAXNOR=15
Procedure Code (required)

The CODE and RETURN statements are required. All others are optional.
CODE
FORTRAN Statements
DIMENSION var( ), var( ), ...
INTEGER var{()}, var{()}, ...
REAL var{()}, var{()}, ...
nn var = expression
nn GOTO mm
nn CONTINUE
nn IF (expression) conditional clause
nn IF (expression) THEN
ELSEIF (expression) THEN
ELSE
ENDIF
nn DO mm IXi= i, j, k
nn DO mm ISi= sid1, sid2
nn TRACE option
nn RETURN

Chapter 10.7 PROCEDURE DATA 187

General Information
The Procedure Data Category, if present, is supplied after the Stream Data Category, and
precedes the Unit Operations Data. It offers much of the calculational power of FORTRAN
without the need for compilation and linking. It contains one or more PROCEDURE blocks
which may be accessed by unit operations in much the same way as subroutines are
accessed by FORTRAN programs.
In this version of PRO/II, only the PLUGFLOW, CSTR, BATCH, and Reactive Distillation
unit operations may access PROCEDURE blocks, for the purpose of calculating reaction
rates. Later versions of PRO/II will have an extensive list of callable PROCEDURE blocks.
A PROCEDURE block has two main sections: The setup section and the code section. In
setup, flowsheet parameters involved in the calculations are retrieved. The user supplies
the actual FORTRAN in the code section.
Input Description
PROCEDURE DATA
Follows the Stream Data Category and precedes the UNIT OPERATION statement. An
unlimited number of PROCEDURE blocks may follow.
Procedure Header (required)

PROCEDURE ID=text, NAME=text
This header is required at the start of each PROCEDURE block.
ID
The PROCEDURE identifier, used to select the kinetics
model within the PLUGFLOW or CSTR or BATCH or
Reactive Distillation block. A maximum of eight
alphanumeric characters may be given. Embedded blanks
are not permitted.
NAME
This is an optional description field used for labeling at
output time. Up to 40 alphanumeric characters may be
given, including embedded blanks. The following
characters are disallowed:
=/ * .&$()
Procedure Setup (optional)

PDATA name1, name2, ...
B B B B
The PDATA statement is used to define input variables used in the CODE section that
follows. They are the user’s “calling argument list” into the PROCEDURE block from the
flowsheet. The actual values are supplied on DEFINE statements in the CSTR,
PLUGFLOW, BATCH, and Reactive Distillation unit operation. Variables defined here may
not be changed in the CODE section.

namei B B A real, scalar variable. The name must start with an alpha
character and may be no more than eight characters long.
An unlimited number of variables are allowed.
Example:
Define a calling argument list for fraction void and particle size.
PDATA VOID, PSIZE
Enter the maximum number of reactions that can be calculated by the PROCEDURE
block.
PARAMETER MAXNOR=15
Procedure Code (required)

The procedure code section is required. It begins with a CODE statement and ends with a
RETURN statement.
Elements of the Language

Each statement contains a maximum of 80 characters. An ampersand (&) at the end of a
line indicates continuation on the following line. Note that an asterisk(*) is not valid as a
continuation marker, since it signifies multiplication.
All lines of code except the CODE statement may be preceded by a unique numeric label
from 1 to 99999 (shown as “nn” in this manual).
A currency sign (“$” in the United States) causes all following data on the line to be
interpreted as a comment rather than as code. Unlike FORTRAN, a “C” in column one
does not designate a comment statement.
Predefined Variables
The following variables names are reserved. They are used to pass values between the
procedure and the unit operation which uses the procedure.
The first tables list variables which provide input values to the procedure. They may not
appear on the left side of an assignment statement.

Table 10.7-1A
VARIABLE PFR CSTR Batch RxDist
NAME
REAL SCALAR VARIABLES – SUPPLIED IN STANDARD PROBLEM
DIMENSIONAL UNITS
Temperature RTEMP X X X X
Pressure RPRES X X X X
Total Molecular weight RMW X X X X
Vapor Phase RVMW X
Liquid Phase RLMW X
L1 Phase RL1MW X
L2 Phase RL2MW X
Specific gravity (60/60) RSPGR X X X X
Total Molar Rate RMRATE X X X X
Vapor Phase RVMRAT X
Liquid Phase RLMRAT X
L1 Phase RL1MRA X
L2 Phase RL2MRA X
Weight Rate RWRATE X X X X
1
Standard Volumetric Rate RSVRAT P P X X X
1
Actual Volumetric Rate RAVRAT P P X X X
Vapor Phase RVVRAT X
Liquid Phase RLVRAT X
L1 Phase RL1VRA X
L2 Phase RL2VRA X
Liquid Fraction RLFRAC X X X X
L1 Phase RL1FRA X
L2 Phase RL2FRA X
Vapor Phase Viscosity RVVISC X X X X
Liquid Phase Viscosity RLVISC X X X X
Vapor Phase Conductivity RVCOND X X X X
Liquid Phase Conductivity RLCOND X X X X
Vapor Phase Sp. heat RVCP X X X X
Liquid Phase Sp. heat RLCP X X X X
Surface tension RSURF X X X X
Absolute Temperature RTABS X X X X
Tube Diameter (fine length) TDIAM X
Tube Length TLEN X
Cumulative Length CUMLEN X
Plug Flow Step Size (fine length) DELX X
Total reactor volume (CSTR & VOLUME X X X
BATCH) or volume stepsize of
PLUGFLOW reactor
Vapor Phase Volume RVVOLU X

Table 10.7-1A
VARIABLE PFR CSTR Batch RxDist
NAME
REAL SCALAR VARIABLES – SUPPLIED IN STANDARD PROBLEM
DIMENSIONAL UNITS
Liquid Phase Volume RLVOLU X
L1 Phase Volume RL1VOL X
L2 Phase Volume RL2VOL X
Gas Constant RGAS X X X X
1 Volumetric flowrates for CSTR and PLUGFLOW are calculated using bulk compositions assuming the
specified reactor phase, even if the phase is actually mixed. A warning is printed if the actual phase is
mixed.
Table 10.7-1B
Variable PFR CSTR Batch RxDist
Name
INTEGER Scalar Variables
Total # of components NOC X X X X
Total # of reactions NOR X X X X
Reaction phase IRPHAS X X X
Basis for Rate Calculation ICPFA X X X
0 = molar
1 = partial pressure
2 = fugacity
3 = mole-gamma
Step # ISTEP X
Unit # for output file IOUT X X X X
Unit # for index file INDX X X X X
Maximum # of reactions MAXNOR X X X X

Table 10.7-1C
Name
REAL Arrays
Dimension : NOC
Total Molar Composition XTOTAL X X X X
Total Molar Concentration XCONC X X X X
Vapor Phase XVCONC X
Liquid Phase XLCONC X
L1 Phase XL1CON X
L2 Phase XL2CON X
Vapor Phase Fugacity XVFUG X X X X
Liquid Phase Fugacity XLFUG
L1 Phase XL1FUG X
L2 Phase XL2FUG X
Liquid Phase Activity XLACT X X X X
L1 Phase XL1ACT X
L2 Phase XL2ACT X
Vapor phase Mole Fractions XVAP X X X X
Liquid phase Mole Fractions XLIQ X X X X
L1 Phase XLIQ1 X
L2 Phase XLIQ2 X
Vapor phase Mass Fractions XVMFRA X
Liquid phase Mass Fractions XLMFRA X
L1 Phase XL1MFR X
L2 Phase XL2MFR X
Dimension : 70 RDATA X X X X
Real numbers supplied on
RDATA statement
Dimension : 200 SUPPLE X X X X
Real numbers supplied on
SUPPLE statement
Dimension : NOR
Activation Energy* ACTIVE X X X X
Pre-exponential factor PREEXP X X X X
Temperature Exponent TEXPON X X X X
Dimension : (NOC,NOR)
Stiochiometric factor STOICH X X X X
Reaction order ORDER X X X X

Table 10.7-1D
Name
INTEGER Arrays
Dimension : 10 IDATA X X X X
Integer supplied on IDATA
statement
Dimension : NOR IDBASE X X X X
Base Component
1
Basis for Rate Calculation ILBASI X P P X
for each reaction (liquid
phase)
0 = molar
2 = fugacity
3 = mole-gamma
4 = mole fraction
5 = mass fraction
1
Basis for Rate Calculation IVBASI X P P X
for each reaction (vapor
phase)
0 = molar
1 = partial pressure
2 = fugacity
4 = mole fraction
5 = mass fraction
Dimension : (NOC,NOR) IPHASE X
Phase of components in rxn
1 = Vapor
2 = Liquid
1 Available only for Boiling Pot CSTR
* There is an important distinction between the values of activation energy for in-line procedures and
calculations involving local reaction sets in distillation columns or reactors. The values of activation
energy supplied the reference reaction set (in RXDATA) or in the local reaction sets are assumed to be
in thousands of energy units per mole units, whereas, in the case of procedures the user-supplied value
is used without the above assumption. e.g., For the SI system, a value of ACTIV=123 kJ/kmol in the
RXDATA or local rxnset is used as 123,000 kJ/kmol in calculations. A procedure using the same
variable, say ACTIV(1), would calculate based upon a value of 123 kJ/kmol.
The following variables are the PROCEDURE block results available to PRO/II after
control is returned to the PLUGFLOW, CSTR or Reactive Distillation unit operation.
RRATES must be defined for all reactions.

Table 10.7-2
PROCEDURE Results
Name
PROCEDURE Results
Values of solution flag: ISOLVE X X X X
0 Default value. PRO/II
assumes the
PROCEDURE step
has solved.
1 PROCEDURE olved.
2 PROCEDURE failed,
but continue
calculations if in a
recycle or control
loop.
3 PROCEDURE failed,
stop all flowsheet
calculations.
Reaction rates for each RRATES(NOR) X X X X
reaction moles/ (liqvol*time) for
1
OPERATIONPHASE=L , B P P
moles/(vapvol*time) for
1
OPERATION PHASE=V P P
2
Temperature derivatives for DRDT(NOR) P P X
each reaction
Composition derivatives for DRDX(NOC, X
2
each reaction NOR) P P
1
P CSTR and PLUGFLOW should not be used when multiphase reactions are expected. Except for Reactive
P
distillation and the CSTR boiling pot model, PRO/II assumes the phase is 100% liquid or vapor as defined on
the OPERATION statement.
2
P The use of this is optional.
P
FORTRAN Statements
CODE
This statement marks the start of the FORTRAN-based procedure section of the
PROCEDURE block.
Declaration Statements
REAL rname1, rname2(i), rname3(j,k) ...
B B B B B B
INTEGER iname1, iname2 (i), iname3 (j,k) ...

B B B B B B
DIMENSION name1 (i), name2 (j,k) ...

B B B B
These statements are used to define local scalars and arrays for use in the code. Each
subscript may be an integer constant, or two integer constants separated by a colon to
specify both the lower and upper array bounds. When defined by the DIMENSION
statement, variables assume the normal FORTRAN convention that assigns names

starting with I through N as integers, and all others as reals. Name lengths may be 8
characters long. Variables defined here may be changed in the code. Variables not
defined here are assumed to be real or integer according to the first character.
Variable names must not conflict with any reserved words, predefined variables (Table
10.7-1 or 10.7-2), or PDATA variables.
Examples:
DIMENSION A(20,20), B(20), X(20)
REAL MASS
INTEGER COUNT, TAB(100)
REAL REVENU(1990:1995), PROFIT(1990:1995), LOSS(1990:1995)
A variable may only appear once on these statements. The following is valid in
standard FORTRAN, but not in the PROCEDURES:
REAL MOLWT
DIMENSION MOLWT(50)
Both standard FORTRAN and the PROCEDURES accept this equivalent form:
REAL MOLWT(50)
Assignment Statements
nn variable =expression
The “expression” is governed by standard FORTRAN conventions. The operations on a
given statement are executed in the following order:
1. Expressions within parentheses ( )
2. Functions
3. Exponential (**)
4. Multiplications and divisions (,/)
5. Additions and subtractions (+,-)
With the exception of exponentiation, calculations with the same precedence are
evaluated from left to right. Multiple exponentiations without parentheses to explicitly
specify the evaluation the evaluation order are not permitted. For example, the following is
invalid:
BADVAL = A**B**C
Predefined variables in Table 10.7-1 and PDATA variables may not appear on the
left side of an assignment statement.

FORTRAN Intrinsic Functions
The following FORTRAN intrinsic functions can be used in expressions:
Table 10.7-3
Arguments
Function Description Number Type Type of
Result
ABS Absolute Value 1 real real
DIM Positive Difference 2 real real
EXP Exponential e 1 real real
INT Truncation 1 real integer
LOG Natural Logarithm 1 real real
LOG10 Common Logarithm 1 real real
MIN Minimum Value ≥2 real real
MAX Maximum Value ≥2 real real
MOD Remainde 2 real real
NINT Nearest integer 1 real integer
SQRT Square Root 1 real real
SIN Sine (radians) 1 real real
COS Cosine (radians) 1 real real
TAN Tangent (radians) 1 real real
ASIN Arc Sine (radians) 1 real radian
ACOS Arc Cosine (rad) 1 real radian
ATAN Arc Tangent (rad) 1 real real
SINH Hyperbolic Sine 1 real real
COSH Hyperbolic Cosine 1 real real
TANH Hyperbolic Tangent 1 real real
PRO/II Intrinsic Functions

Table 10.7-4 lists all available PRO/II intrinsic functions. In the table, “cno” represents an
integer component number which is an integer constant or variable. Property values are
retrieved in the dimensional units used for problem input.

Table 10.7-4
Pure Component Properties
Function Description of Property
CMW(cno) Molecular weigh
CNBP(cno) Normal boiling temperature
CSPGR(cno) Specific gravity (60F/60F)
CTC(cno) Critical temperature
CPC(cno) Critical pressure
CVC(cno) Critical volume, cc/gm-mole
COMEGA(cno) Acentric factor
Calculational Flow Control Statements

nn GOTO mm
This is the standard FORTRAN statement that branches to label mm unconditionally. “GO
TO” written as two words is supported.
nn CONTINUE
This statement serves as a branch destination or the end of a DO loop. It performs no
calculations.
IF Statement
This statement allows logical branching during calculations and conforms to standard
FORTRAN rules for “IF” statements. If the parenthetic expression is true, it executes the
conditional clause. The conditional clause may not be one of the following:
REAL
INTEGER
DIMENSION
IF
ELSEIF
ELSE
ENDIF
DO
RETURN

Table 10.7-5
Logical Operators In IF Statements
Operator Description
.EQ. equal to
.NE. not equal to
.LT. less than
.GT. greater than
.GE. greater than or equal to
.LE. less than or equal to
.AND. both true
.OR. either true
.EQV. equivalent
.NEQV. not equivalent
.NOT. true/false toggle
ELSE
ENDIF
These statements conform to standard FORTRAN IF-THEN-ELSE statements, allowing
for structured branching of code. “ELSE IF” and “END IF” written as two words are also
accepted. Block “IF” constructs can be nested.
DO Loops
nn DO mm iname= i, j, k
This statement defines the beginning of a DO loop having a range extending through
statement label mm. “i” and “j” are initial and final indices respectively. The increment step
“k” is optional and defaults to 1.
TRACE Statement
nn TRACE option
Trace statements control printing an historical trace as calculations proceed. This
facilitates debugging the code in the procedure. Options are:
ON Prints line number, statement number, and (action taken/new
variable value) as each statement executes.
BRANCH Prints TRACE information only for branching statements such
as IF, GOTO or DO.
OFF Turns off all TRACE options.

Example:
TRACE BRANCH (Traces branching only)
TRACE OFF (No trace at all)
TRACE ON (Traces every statement)
Calculation Termination Statement

nn RETURN
The RETURN statement signals the end of the calculation procedure and must appear as
the last statement in the CODE section. Only one RETURN statement is allowed. The
solution flag for the PROCEDURE block is set according to the user-defined value of
ISOLVE.
Examples
1: Power Law Kinetics
This example demonstrates how the PROCEDURE block may be used to code power law
kinetics. This essentially duplicates the Arrhenius form built into PRO/II PLUGFLOW and
CSTR reactors, but adds a “SCALE” variable which uniformly scales up the rates of all
reactions according to a user supplied factor. Acetic anhydride and water are reacted in a
PLUGFLOW reactor which calls the PROCEDURE block.
TITLE PROJECT=PL REACTOR

DESC DEMONSTRATES PROCEDURE BLOCK TO PREDICT
DESC POWER LAW REACTION KINETICS
DIMENSION METRIC
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACETANHD/2,WATER/3,HAC
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL, SET=NRTL01
STREAM DATA
PROPERTY STREAM=1, PRESSURE=1.0876, PHASE=L, &
COMPOSITION(M,KGM/H)=1,100/2,100/3,2
RXDATA
RXSET ID=US1
REACTION ID=1
STOICHIOMETRY 1,-1/2,-1/3,2
KINETICS PEXP(C,KG,M3,KG/CM2,HR)
PROCEDURE DATA
PROCEDURE(KINETIC) ID=U1, NAME=SET0
PDATA SCALE
PARAMETER MAXNOR=16
CODE

DO 500 J = 1,NOR
RRATES(J) = 0.0
ACTENG = ACTIVE ( J ) * 1000.0
ERT = -ACTENG / (RGAS * RTABS)
RJ = PREEXP( J ) * EXP( ERT )
DO 400 I = 1, NOC
$
$ SKIP NON-REACTANTS
$
IF (STOICH( I, J ) .GE. 0.0) GO TO 400
IF (ABS(ORDER( I, J )) .LT. 1.0E-20) GO TO 400
IF (XTOTAL( I ) .LE. 0.0) GO TO 500
$
$ USE PARTIAL PRESSURES FOR RRATES
IF (ICPFA .NE. 1) GO TO 201
RJ = RJ * (XTOTAL( I )*RPRES) ** ORDER( I, J )
GO TO 400
$
$ USE VAPOR FUGACITIES
201 IF (ICPFA .NE. 2) GO TO 203
RJ = RJ * (XVFUG( I )) ** ORDER( I, J )
GO TO 400
$
203 CONTINUE
$
$ USE CONCENTRATIONS
RJ = RJ * (XCONC( I )) ** ORDER( I, J )
400 CONTINUE
RRATES( J ) = SCALE * RJ
500 CONTINUE
$
$ END OF CALCULATION
RETURN
UNIT OPERATIONS
PLUG UID=US1
FEED 1
PRODUCT L=M1
OPERATION LENGTH=10, DIAMETER=200, TUBES=12, &
THERMAL, TEMPERATURE=60
RXCALCULATION CONCENTRATION, STEPSIZE=2, &
KINETICS(PROCEDURE)=U1
RXSTOIC RXSET=US1
REACTION 1

KINETIC PEXP(C,KG,M3,KG/CM2,HR)=9.6
END
2: Reactive Distillation Using an In-line Procedure.

The reversible esterification reaction between ethanol and acetic acid
C2H4O2 + C2H5OH = H2O + C4H8O2
is simulated using a 1-tray reactive distillation column. The forward and reverse reaction
rates are calculated using an in-line procedure.
The forward reaction rate is given by:
rf = 488.33 exp(-59.4451/RT) CC2H4O2 CC2H5OH B B B B B B B B B B
and the reverse reaction rate by:

rr = 123.0 exp(-59.4451/RT) CH2O CC4H8O2 B B B B B B B B
The procedure data predefined variables are in SI units. However, the pre-
3
exponential factors are given in units of kg/m .sec. A multiplication factor of 3600 is P P
therefore needed to convert to the default reaction rate units of kgmol/m3.hr. P P
TITLE
DIME SI, PRES=BAR, TEMP=C
PRINT MBAL
COMP DATA
LIBID 1, ACETIC/2, ETHANOL/ 3, WATER/ 4, EACTAT
THERMO DATA
METHOD SYSTEM=NRTL, TRANS=PETRO
STREAM DATA
PROP STRM=1 PRES=1.013, PHASE=L, RATE=6.468 &
COMP=1.4963/ 2.4808/ 3, 0.0229/ 4, 0.0001, NORM
RXDATA
RXSET ID=SET01, PROCEDURE=PK1
REACTION ID=REAC01
STOI 1, -1/ 2, -1/ 3, 1/ 4, 1
KPHASE DEFAULT=LIQUID
KINETIC PREEX(KG,M3,SEC)=483.33, ACTIVATION (J/G)=59.4451
REACTION ID=REAC02
STOI 1, 1/ 2, 1/ 3, -1/ 4, -1
KINETIC PREEX(KG,M3,SEC)=123., ACTIVATION(J/G)=59.4451
PROCEDURE DATA
PROCEDURE (RXKINE) ID=PK1 NAME=KINETIC1
PARAMETER MAXNOR=10
CODE
RRATES(1)=PREEXP(1) * EXP(-ACTIVE(1)*1000/(RGAS*RTABS)) * &
XLCONC(1) * XLCONC(2) * 3600.

RRATES(2)=PREEXP(2) * EXP(-ACTIVE(2)*1000/(RGAS*RTABS)) * &
XLCONC(3) * XLCONC(4) * 3600.
DRDT(1)=RRATES(1) * ACTIVE(1) / (RGAS * RTABS * RTABS)
DRDT(2)=RRATES(2) * ACTIVE(2) / (RGAS * RTABS * RTABS)
DRDX(1,1)=RRATES(1) / XLIQ(1)
DRDX(3,1)=0.
DRDX(4,1)=0.
DRDX(1,2)=0.
DRDX(2,2)=0.
ISOLVE=1
RETURN
UNIT OPS
COLUMN
PARAMETER CHEM=20, TRAY=1
FEED 1,1
PROD OVHD=DIST, 1.2, BTMS=BOTM
HEAT 1,1
PSPEC PTOP=1.013, DPCOL=0
SPEC STRM=DIST, RATE, VALUE=1.2
VARY HEAT=1
PRINT ITER=ESTI, COMP= M
RXTRAY REFE=SET01, TRAY=1,1
LVOL 1,1
RXPARM VITER=0
END

10.8 – REACTION
U
DATA
Keyword Summary
RXDATA
Reaction Set Identification (required)

RXSET ID= setid, {NAME= text},
{KINETICS(POWERLAW, PROCEDURE, SUBROUTINE)= id}
Reaction Definition (required)

REACTION ID= reactionid, {NAME= text}
STOICHIOMETRY i, coef / j, coef / ...
HORX HEAT(unit)=value, REFCOMP=i,
REFTEMP(C)=25,
{REFPHASE=V or L}
Reaction Kinetics Data (optional)

KINETIC PEXP(temp unit, weight unit, volume unit,
press unit, time unit)=1.0
ACTIVATION(unit)=0.0,
TEXPONENT=0.0
KPHASE DEFAULT=L or V or L1 or L2,
{COMPONENT= i,phase/ j,phase/...}
KBASIS VAPOR=CONCENTRATION or PARTIAL-
U U
PRESSURE or FUGACITY or MOLEFRACTION or

MASSFRACTION,
LIQUID=CONCENTRATION or FUGACITY or ACTIVITY or
U U
MOLEFRACTION or MASSFRACTION
KORDER i, value/....
Chapter 10.8 REACTION DATA 203

Reaction Equilibrium Data (optional)
EQUILIBRIUM A=value, B=value, C=value, D=value,
(temp unit, weight E=value, F=value, G=value, H=value
unit, volume unit,
press unit)
EPHASE DEFAULT=L or V or L1 or L2,
U U
EBASIS VAPOR=CONCENTRATION or PARTIAL-

U U
PRESSURE or FUGACITY or MOLEFRACTION or

MASSFRACTION,
U U
MOLEFRACTION or
MASSFRACTION
EEXPONENT i, value/j,value/...
General Information
The Reaction Data Category allows the definition of sets of chemical reactions available
for use by reacting units, i.e.:
Conversion Reactors
Equilibrium Reactors
Gibbs Reactors
Plug Flow Reactors (PFRs)
Continuous Stirred Tank Reactors (CSTRs)
Batch Reactors
Reactive Distillation Columns.
The Reaction Data category is optional, but if defined (1) must appear between the
Stream Data and Procedure Data categories and (2) must include at least one set of
reaction definitions.
Reaction Sets
Reactor units access reaction sets rather than individual reactions. A set of reactions may
be used by any number of unit operations in the simulation.
Each reaction set must include the definition of at least one reaction, although any number
of reactions may be included in each set. If only a single reaction is defined, it still must
be defined within a reaction set. Each reaction set must be identified by an identifier that
is unique among all the reaction set identifiers in the problem.

Individual Reactions
Each reaction within a single reaction set must have an identifier that is unique among all
the reaction identifiers within that specific reaction set. A single reaction identifier may
appear in any number of reaction sets, as long as it never appears more than once within
a single reaction set.
Input Description
RXDATA (required)
This statement is required to indicate the beginning of the Reaction Data Category of
input. The Reaction Data Category includes all input statements that appear after the
RXDATA statement and before the PROCEDURE DATA statement.
The Reaction Data Category is organized by reaction sets, each of which has a unique ID
and includes one or more individual reactions. All defined reactions must be part of a
reaction set, because unit operations reference reaction sets rather than individual
reactions.
Defining a Reaction Set

RXSET ID= setid, {NAME= text},
{KINETICS(POWERLAW, PROCEDURE,
SUBROUTINE)= id}
The RXSET statement must appear as the first statement after the RXDATA statement,
and supplies a unique identifier for the reaction set. All statements that follow are part of
that set, until another RXSET or the PROCEDURE DATA statement is encountered.
There is no limit to the number of reaction sets that may appear within the Reaction Data
category of input.
ID This entry is required to supply an identifier for the
reaction set. This identifier is used by individual unit
operations to access the data for all reactions
defined in the set.
setid The actual set identifier that consists of up

to 12 alphanumeric characters.
NAME An optional descriptive name containing up to 40
alphanumeric characters, including blanks. The
name is used only as an identification aid in the
results printout, and therefore does not need to be
unique.
KINETICS This instructs the program to calculate rates of
reaction using either a user-supplied algorithm or the
default power law kinetics model shown in Table
10.8-1. The PRO/II PDTS/UAS User’s Guide
contains instructions for creating and installing User-
added Subroutines. Also see Section 10.7 for a
description of In-Line Procedures.

POWERLAW This specifies the default power
law kinetics described in Table
10.8-1. The ‘id’ entry is invalid with
this option.
PROCEDURE This option specifies an In-Line

Procedure to perform reaction rate
calculations. The ‘id’ entry
supplies the identifier of the
procedure defined in the
Procedure Data. The ‘id’ contains
up to eight characters.
SUBROUTINE This entry selects a User-Added
Subroutine written in FORTRAN to
perform reac-tion rate calculations.
The ‘id’ entry described below
supplies the subroutine names.
‘U1’, ‘U2’, ‘U3’, ‘U4’, and ‘U5’
correspond to User-added
subroutines ‘USKIN1’, ‘USKIN2’,
‘USKIN3’, ‘USKIN4’, and
‘USKIN5’, respectively.
Defining an Individual Reaction

The definition of an individual reaction must begin with a REACTION statement and must
include a STOIC statement and an optional HORX statement.
Identifying a Reaction (required)

REACTION ID= reactionid, {NAME=text}
The REACTION statement must appear as the first statement in the definition of each
reaction. All statements that follow input data for the reaction until another REACTION
statement, an RXSET statement, or the PROCEDURE DATA statement is encountered.
ID Required to supply an identifier (of up to 12
alphanumeric characters) for the reaction. The
identifier must be unique among all the reactions
within the current reaction set.
NAME An optional descriptive name containing up to 40
alphanumeric characters, including blanks. The
name is used only as an identification aid in the
results printout, and therefore does not need to be
unique.

Table 10.8-1:
Default Power Law Kinetics Model
Total rate of reaction for one component in one reaction:
NRC
ri = S i * r0 = S i * k * e − E /( R*T ) * T TEXP * ∏ (C k ) Ak
k =1
Total rate of reaction for one component in multiple, simultaneous reactions:

NRX NRCj
∑ T TEXP * ∏ (C kj )
− E j /( R *T ) *
ri =
Ak j
S ij * k j * e
j =1 k =1
ri
B total rate of reaction of component i, wt-mole/volume-time.
B
Si stoichiometric coefficient for component i.

B B
k pre-exponential (frequency) factor of the reaction.

E activation energy for the reaction, in thousands of energy units/wt-mole.
Please refer to the Specific Enthalpy class of dimensions in
Table 4.2 for a complete list of available dimensions.
R the universal gas constant.
T the reaction temperature, in absolute units.
Ck the concentration of reactant k, wt-mole/volume, or the partial pressure
B B
of reactant k in pressure units.

Ak exponential (power law) factor for reactant k.
B B
NRC number of reacting components.

Π multiplicative product of all reactant concentration terms.
j denotes reaction j.
NRX number of reactions.
TEXP temperature exponent given using the TEXPONENT keyword on the
KINETIC statement.
Defining Reaction Stoichiometry (required)

STOICHIOMETRY i, coef / j, coef / ...
The STOICHIOMETRY statement declares the components that are reactants and
products of the reaction by supplying the stoichiometric ratios in which they react. Only
components included on the STOICHIOMETRY statement are involved in the reaction.
Each entry includes a component number followed by a stoichiometric coefficient.
Adjacent entries are separated by a slash (/).

i, j Component numbers, as assigned in the Component
Data category of input. Each component involved in
the reaction must be declared only once, as either a
reactant or a product.
coef The stoichiometric coefficient assigned to the
component. By convention, each reactant has a
negative stoichiometric coefficient, while each product
component has a positive coefficient. Currently, all
stoichiometric factors for components having a defined
molecular weight must be provided on a mole basis.
Defining Heat of Reaction Data (optional)

HORX HEAT(unit)=value, REFCOMP=i,
REFTEMP(C)=25,
{REFPHASE=V or L}
U U
The HORX statement allows input of HEAT entry, which is the heat of reaction per mole of
reference component REFCOMP, measured at REFTEMP and REFPHASE conditions.
HEAT This entry allows input of the heat of reaction in
thousands of energy units per mole of reference
component reacted. A negative value indicates heat
release or exothermic reaction. If not input, default
heat of reaction is calculated from heat of formation
values of the reactants and products.
REFCOMP This entry declares the base or reference
component for specification of the heat of reaction.
This component should be a reactant in the reaction,
and is required input if HEAT is specified.
REFTEMP The REFTEMP entry is used to specify the reference
temperature for heat of reaction calculation. The
default is 77° F (English) or 25° C (metric or SI).
REFPHASE This optional entry specifies the reference phase for
heat of reaction calculation, where L=liquid and
V=vapor. The default is vapor.

The kinetic parameters and options involved in the rate calculations for the reaction are
specified in this section of the reaction data input. The input entries include kinetic
parameters, reaction phase, and activity basis to be used in the rate equation.
press unit, time unit)=1.0,
TEXPONENT=0.0

Kinetic parameters for use in the rate equation are specified on the KINETIC statement.
For power law equation, the rate equation is the r term in Table 10.8-1.
B B
PEXP (temp unit, This entry specifies the pre-exponential factor for the
weight unit, rate expression of the power law kinetics model. The
volume unit, default is 1.0.
press unit,
time unit)
These units are used to specify the dimensional units
of the reaction rate expression. Allowed units are
temperature, weight, volume, pressure and time units.
Please refer to those unit classes in Table 4.2 for a
complete list of available dimensions. For the missing
unit, the unit defaulted or supplied on the DIMENSION
statement of the General Data category is used.
ACTIVATION The activation energy for the reaction, in thousands of
(unit) energy units per mole. The default value is zero.
This optional qualifier allows specification of the
specific enthalpy unit used for the activation energy.
The available qualifiers are listed in the Specific
Enthalpy class of dimensional units shown in Table
4.2. If missing, the specific enthalpy defaulted or
supplied on the DIMENSION statement of the General
Data category is used. Activation energy is used
without conversion to thousand energy units per mole
for calculations in Procedures (see Table 10.7-1C).
TEXPONENT The temperature exponential factor in the rate
equation. If omitted, this term defaults to zero.
U U

The KPHASE statement is used to input the reaction phase.
DEFAULT This entry declares the reaction phase for which
kinetic parameters have been input on the KINETIC
statement, where L=Liquid and V=Vapor. The default
is liquid.
COMPONENT This entry specifies the reaction phase of each
reacting component defined in the reaction rate
expression. For reactants not specified here, they are
defaulted to the reaction phase determined by the
DEFAULT statement.
KBASIS VAPOR=CONCENTRATION or
U U
PARTIALPRESSURE or FUGACITY or MOLEFRACTION or

MASSFRACTION,
U U

The activity or the form used to express the quantity of each component in the rate
equation is specified using the KBASIS statement.
VAPOR This entry declares the activity basis for vapor phase
reaction. Options are:
CONCENTRATION molar concentration

PARTIALPRES partial pressure
FUGACITY vapor fugacity
MOLEFRACTION mole fraction
MASSFRACTION mass fraction
CONCENTRATION is the default kinetic basis for

vapor phase.
LIQUID Activity basis for liquid phase reaction is declared
using this keyword. Options are:
CONCENTRATION molar concentration

ACTIVITY liquid activity
FUGACITY liquid fugacity
MOLEFRACTION mole fraction
MASSFRACTION mass fraction
CONCENTRATION is the default kinetic basis for

liquid phase.
The kinetic reaction orders of reactants used in the rate equation are specified using the
KORDER statement
i ‘i’ is the component number

value This entry is the reaction order used for
the reactant component activity when
using the default power law rate
expression. If omitted for a reactant, the
power law uses the absolute value of the
molar stoichiometric coefficient supplied
by the ‘coef’ entry on the STOIC
statement of the reaction definition.
Default values for product components
are always zero.

The equilibrium coefficients and reaction phase involved in reaction equilibrium
calculations are specified in the equilibrium section of the reaction data.
unit, volume unit,
press unit)
In equilibrium calculations, the equilibrium constant Keq is computed as a function of
temperature using coefficients (A, B, ....H) supplied through input. Equilibrium
compositions are then calculated from the resulted equilibrium constant equation.
(temp unit, These units are used to specify the dimensional

weight units, units of the equilibrium constant expression. Allowed
volume unit, units are temperature, weight, volume and pressure
press unit) units. Please refer to those unit classes in Table 4.2
for a complete list of available dimensions. For the
missing unit, the unit defaulted or supplied on the
DIMENSION statement of the General Data
catagory is used.
A,B,C,D, These entries supply values for the coefficients in
E,F,G,H the temperature-dependent equilibrium constant
equation:
B 2 3 4 5
ln( K ) = A + C ln(T ) + DT + ET + FT + GT + HT
T
At least one of entries A through H is required.
U U

The EPHASE statement is used to specify reaction phase for the equilibrium reaction.
DEFAULT This entry declares the reaction phase for which
equilibrium coefficients have been input on the
EQUILIBRIUM statement, where L=Liquid and
V=Vapor. Default is L.
COMPONENT This entry specifies the reaction phase of each
reacting component defined in the reaction rate
expression. For both reactants and products not
specified here, they are defaulted to the reaction
phase determined by the DEFAULT statement.

The equilibrium constant Keq applies to the general equation:

Keq
a [ A] + b [ B ] + ... p[ P] + q[Q] + ...
CPp CQq ...

Keq =
C Aa CBb ...
where:
Ci B = activity concentration of component i
B
a,b,p,q, ... = equilibrium exponents which usually equal to the absolute

values of stoichiometric coefficients
Implementation of Reaction Data in Reactors

All equilibrium or kinetic data for reactor units specified in the Reaction Data Category of
input can be accessed by all reactor units including the reactive distillation. The user can
therefore specify all these data for each reaction in one place - the reaction data category,
and then reference the desired reaction set in the reactor unit. The user is also allowed to
directly specify equilibrium or kinetic data in the reactor unit. There is a set of rules that
determines how the reaction data will be accepted for reactor calculations. The rules are
as follows:
1. Equilibrium and kinetic data in the reaction data section and reactors
a. For a selected reaction set, if the equilibrium or kinetic data have been
specified or defaulted in the reaction data section, the data from the
reaction data section will be used as the defaults in the reactor units
which select the reaction set.
b. For a selected reaction set, if no equilibrium or kinetic data sets were
specified in the reaction data section, and if the data are not input in the
reactor, then default equilibrium or kinetic data are determined by the
reactor as in previous versions of PRO/II.
c. If any of the equilibrium or kinetic parameters or options are input in a
reactor, the specified value will be used to overwrite the previous value,
which may have been input or defaulted in the reaction data category.
2. Consistency of reaction phase and reaction activity basis
Depending on the reaction operation phase specified for the reactor unit, the
reactor unit may accept either a single or multiple reaction phases and
activity bases for the reaction calculations. When the reaction phase for all
reactions in the selected reaction set is consistent, the reaction phase will be
used as the default of operation phase for the reactor. Similarly, if the activity
basis for all reactions in the selected reaction set is consistent, the activity
basis will be used as the default of reaction activity basis for the reactor.

However, if there is no consistency in the reaction set with respect to the
phase and activity basis, then the default reactor operation phase and/or
reaction activity basis will be determined by the reactor unit in the same way
as it was done in the previous PROII versions.
3. Reference temperature and reference phase for heat of reaction
In a manner similar to the reaction phase and reaction activity basis, only
single reference temperature and single reference phase can be accepted
by each reactor unit (except Gibbs reactor where reference temperature and
phase are internally fixed). If the reference temperature for all reactions in
the selected reaction set is consistent, it will be used as the reference
temperature for the reactor unit. If the reference phase for all reactions in the
selected reaction set is consistent, it will be used as the reference phase for
the reactor unit. Whenever inconsistency occurs, the reference temperature
and/or the reference phase will be defaulted by the PROII defaults, i.e., 25°
C for reference temperature and vapor phase for reference phase.
Example
The following is a sample input for the Reaction Data Category of input. This category
appears in the keyword input file after the last statement of the Stream Data Category and
before the Procedures Data Category.
.
.
.
RXDATA
RXSET ID=RS1
$ Reaction Definition
REACTION ID=1
STOICHIOMETRY 1,-1/2,-1/3,1/5,1
HORX HEAT=-48, REFCOMP=1, REFPHASE=V, REFTEMP(F)=122
$ Reaction Kinetics Data
KINETIC PEXP=2.1E11, ACTIVATION=0.0
KPHASE DEFAULT=V
KORDER 1,1/2,1
$ Reaction Equilibrium Data
EQUILIBRIUM(R) A=-32.0472, B=45085
EPHASE DEFAULT=V

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11.1 – FLASH
U
Keyword Summary
FLASH UID=uid, {NAME=text, KPRINT}

FEED sid, {sid,...},
PRODUCT V=sid, or L=sid, {W=sid, S=sid}
or
V=sid, L=sid, {W=sid, S=sid}
or
M=sid, {W=sid, S=sid}
Performance Specifications (required)

One of the following flash types must be defined:
Isothermal (temperature and pressure both fixed).
ISOTHERMAL TEMP (unit)=value,
PRES (unit)=value or DP (unit)=0.0
Adiabatic or Phase Separator (constant duty).
ADIABATIC TEMP (unit)=value, {PEST (unit)=value},
or
PRES (unit)=value, {TEST (unit)=value},
or
DP (unit)= 0.0, {TEST (unit)=value},
DUTY (unit)=0.0
Dew Point (saturated vapor).
DEW TEMP (unit)=value, {PEST (unit)=value}
or
PRES (unit)=value, {TEST (unit)=value}
or
DP (unit)= 0.0, {TEST (unit)=value}

Chapter 11.1 FLASH 215

Hydrocarbon Dew Point for water-hydrocarbon systems.
DEWHC TEMP (unit)=value, {PEST (unit)=value}
or
or
Water Dew Point for water-hydrocarbon systems.
DEWWATER TEMP (unit)=value, {PEST (unit)=value}
or
or
Bubble point (saturated liquid).
BUBBLE TEMP (unit)=value, {PEST (unit)=value}
or
or
Isentropic (constant entropy).
ISENTROPIC TEMP (unit)=value, {PEST (unit)=value}
or
or
UpperDewPoint
UPPERDEWPOINT TEMP (unit) =value, {PEST (unit)=value}
Specified Conditions at fixed Temperature or Pressure.
TPSPEC TEMP (unit)=value, {PEST (unit)=value}
or
or
and
SPEC STREAM=sid, <property 1>, WET or DRY,
U U

Refer to Section 10.4 for a discussion of generalized specifications.
Entrainment (optional)
ENTRAINMENT FROM=phase, TO=phase,
FRACTION=value or PERCENT=value or
RATE(M or WT or LV or GV, units)=value
U U

Valid entries for phase are V or L or S or W.
Alternative Definition of Flash Parameters (optional)

DEFINE <param> AS <unit type>=uid, <param>, {<op>, <ref>}
or
DEFINE <param> AS STREAM=sid, <prop>, {<op, <ref>}
Valid <param> entries are: TEMP, PRES, DP, DUTY or ERATE

METHOD SET=setid
General Information
The FLASH unit operation calculates the thermodynamic state of any stream when two
variables (e.g., temperature and pressure) are given. The phase equilibrium is
determined, and phases may be separated into distinct product streams. The duty
required to achieve the state is reported.
Input Description
Entries on FLASH, FEED and PRODUCT statements are general to all unit operations
and are described in detail in Section 10.2. Table 11.1-1 lists the allowed products for
each flash type:
Table 11.1-1
Allowed Products
FLASH TYPE PRODUCTS
ISOTHERMAL V L M W S
ADIABATIC V L M W S
DEW V L1P P S
DEWHC V W
DEWWATER V L
1
BUBBLE V P P L W S
ISENTROPIC V L M W S
1
UPPERDEWPOINT V L P P
TPSPEC V L M W S
1 A pseudo equilibrium stream with a molar flowrate of zero will be created.
Note that a vapor phase (for bubble point flashes) and a liquid phase (for dew point
flashes) pseudo stream will be created if a label is given for that particular stream. The
rate of this equilibrium pseudo stream may be set to any value by using a DEFINE
statement (see Table 10.3-3A).

Entrainment (optional)
ENTRAINMENT FROM=phase, TO=phase,
FRACTION=value or PERCENT=value or
RATE(M or WT or LV or GV, units)=value
U U
Valid entries for phase are V, L, S or W.

This statement is optional and is used to indicate the extent (in fraction or percentage or
rate) to which any phase (V, L, S, or W) entrains in any other phase. Multiple
ENTRAINMENT statements may be used in one flash unit operation.
FROM This keyword is used to indicate the phase, which will

entrain in a second phase. Valid phase types are V, L, S, or
W.
TO This keyword is used to indicate the phase into which
entrainment occurs. Valid phase types are V, L, S, or W.
No phase is allowed to entrain in itself.
FRACTION This keyword is used to specify the fraction of the “FROM”
phase that will entrain in the “TO” phase.
PERCENT This keyword is used to specify the percent of the “FROM”
phase that will entrain in the “TO” phase.
RATE This keyword is used to specify the flowrate of the “FROM”
phase that will entrain in the “TO” phase. Specification of
the flowrate is allowed on a molar (M-default), weight (WT),
liquid volume (LV), or gas volume (GV) basis. If non-
molecular solids are present, the basis is restricted to
weight only.
The entrainment calculations are performed after the flash calculations. If multiple
entrainment statements are used, all the entrainment calculations are done after the
original flash calculations are concluded. Product streams after entrainment may therefore
be different than the flash specifications.
If the sum of the FRACTIONS and PERCENTS / 100 for a given stream exceed 1.0, an
input error message is generated. If, at calculation time, it is found that a stream is
entrained to a fraction greater than 1.0, a warning message is generated and the RATE is
reduced to accommodate the available feed.
VLLE Calculations
Rigorous handling of two liquid phases is possible by specifying a VLLE thermodynamics
methods set. VLLE changes the significance of L and W product declarations. L is the
first liquid phase containing the bulk of the first principal component declared on the VLLE
entry, and W designates the second liquid phase. If principal components are not
designated on the VLLE statement of THERMODYNAMICS DATA, the aqueous phase (if
present) is the W product. DEWWATER and DEWHC are not meaningful when using
VLLE. A description of VLLE is presented in Sections 22 and 23.

<flash type> TEMP(unit)=value or TEST (unit) = value
PRES (unit)=value or DP (unit) = 0.0 or
PEST (unit) = value,
DUTY (unit)=value
SPEC STREAM=sid, <property 1>, WET or DRY,
Table 11.1-2 lists the input requirements for each flash type.
Keywords TEMP and PRES specify the temperature and pressure of the flash. TEST and
PEST are estimates of temperature and pressure, respectively. DP is the pressure drop
below the lowest feed pressure. Negative values of DP result in a pressure increase.
If PRES and DP are omitted, the default is DP=0. For ADIABATIC flashes only, DUTY is
given in millions of energy units/time and defaults to DUTY=0.0.
SPEC is a stream or unit specification required by a TPSPEC flash. Refer to Section 10.4
for a discussion on generalized specifications. Available <property 1> entries are given in
Table 11.1-3.

Table 11.1-2
Required Input Data
REQUIRED OPTIONAL
<flash type> TEMP DP or SPEC PEST TEST DUTY
PRES
ISOTHERMAL X X
ADIABATIC X or X X or X X
DEW X or X X or X
DEWHC X or X X or X
DEWWATER X or X X or X
BUBBLE X or X X or X
ISENTROPIC X or X X or X
UPPERDEWPOINT X X
TPSPEC X or X X X or X
Table 11.1-3
Available <property 1> Entries
for SPEC Statement
TEMP(unit) MOISTURE(basis) DENSITY(unit) D86 (unit, vol%)
PRES(unit) LFRAC MOLVOL (unit) D1160(unit, vol%)
RATE(basis, unit) VFRAC HOTVOL (unit) RVP(type 1)
RATE, COMP=i,j WFRAC ENTHALPY(unit) TVP(unit)
FRAC, COMP=i,j MW TBP(unit, vol%) VISCOSITY(unit)
PERC, COMP=i,j API TBP10(unit, vol%) CONDUCTIVITY(unit)
PPM, COMP=i,j SPGR TBP, ATPCT=pct SURFACE(unit)
GRAINS, COMP=i,j SPROPERTY(unit)
Alternative Definition of Parameters (optional)

or
DEFINE <param> AS STREAM=sid, <prop>, {<op, <ref>}
Flash parameters TEMP, PRES, DP, DUTY, and EQRATE (for pseudo streams) may be
defined relative to any available stream <reference> property (Tables 10.3-2 A-B) or unit
operation <reference> property (Tables 10.3-3 A-B). Examples are given at the end of

this section. Refer to Section 10.5 for a discussion of the DEFINE construct. Each
isothermal FLASH supports a maximum of two DEFINE statements. All other flash types
allow only one.
The flash parameter on a DEFINE statement must be valid for the type of flash being
performed (e.g., DUTY may be DEFINEd for an ADIABATIC flash, but not for an
ISOTHERMAL flash).

METHOD SET=setid
When more than one thermodynamic method set appears in the problem, the METHOD
statement may be used to choose the set applicable to this unit operation. Refer to
Section 10.2 for information on defining and selecting thermodynamic sets for unit
operations.
Examples
1: Simulate a simple phase separator with feed streams 5 and 6 mixed together. Flash
adiabatically at the pressure of the feed with the lower pressure and create vapor product
5V and liquid product 5L.
FLASH UID=F-1
FEED 5, 6
PROD V=5V, L=5L
ADIA
2: Drop the pressure of stream 1 by 5 pressure units, and flash it at 30° F.

FLASH UID=F-2
FEED 1
PROD V=2, L=3
ISOT TEMP (F)=30, DP=5
3: Perform a BUBBLE flash of stream 5 at 100 psia. The bubble point liquid product is
stream 6. Use thermodynamics methods set SET01 to compute
K-values, enthalpy, entropy, etc.
FLASH UID=F-03
FEED 5
PROD L=6
BUBB PRES (PSIA)=100
METHOD SET=SET01
4: Combine and flash streams 2, 3, and 18 with a pressure drop of 10, at a temperature,
which yields a liquid product flowrate of 1432 moles per time unit in stream L15. Remove
the remaining feed as vapor product stream V14. Also print out a component K-value
tabulation of the results.

FLASH UID=F004, NAME=COOLER, KPRINT
FEED 2, 3, 18
PROD V=V14, L=L15
TPSPEC DP=10
SPEC STREAM=L15, RATE, VALUE=1432
5: Perform a specified-duty flash. Use the duty from the second heater/cooler attached to
distillation tower T101.
FLASH UID=F5
FEED 1
PROD M=F101
ADIABATIC DP=0.0
DEFINE DUTY AS COLUMN=T101, DUTY(2)
6: Perform an isothermal flash at a temperature 10 degrees higher than that of flash unit
F1. Use a pressure drop equal to the pressure of stream P1 minus the pressure of flash
F1.
FLASH UID=F6
FEED 1
PROD V=2, L=3, W=4
ISOTHERMAL
DEFINE DP AS STREAM=P1, PRES, MINUS, FLASH=F1,
DEFINE TEMP AS FLASH=F1, TEMP, PLUS, 10.0
7: Following an isothermal flash at 100° F and 1 atmosphere, 1.5% of liquid product is

T T
entrained in the vapor product.

FLASH UID=F7
T
FEED 1
PROD V=2, L=3
ISOT TEMP(F)=100, PRES(ATM)=1
ENTRAIN FROM=L, TO=V, PERCENT=1.5 T
8: A bubble point flash is performed at 100 psia. Stream 3 is the bubble point liquid and
stream 2 is the pseudo stream with the vapor equilibrium composition. The flow rate for
the pseudo stream is set to a calculator result of 5 moles/hr.
FLASH UID=F8
FEED 1
PROD V=2, L=3
BUBBLE PRES=100
DEFINE ERATE AS CALCULATOR=CAL1, R(1)
CALCULATOR UID=CAL1
PROCEDURE

R(1)=5
RETURN
9: An example of a keyword input file for a phase envelope curve for stream (S60) with a
retrograde condensation region from 0 to 450 C.
P P
FLASH UID=T_30C
T T T
FEED S60
PROD V=T30C_V
UPPERDEWPOINT TEMPERATURE=30, PESTIMATE=100


11.2 – PUMP
U
Keyword Summary
PUMP UID=uid, {NAME=text}

FEED sid, {sid, . . .}
PRODUCT L=sid

OPERATION DP(unit)=0.0 or PRESSURE(unit)=value or
PRATIO=value,
EFF(PCT)=100 .0
Alternate Definition of Parameters (optional)

or
DEFINE <param> AS STREAM=sid, <prop>, {<op>, <ref>}
Valid <param> entries are DP, PRES, PRATIO, or EFF.

METHODS SET=setid
General Information
The pump computes the pressure-volume energy required to increase the pressure of a
stream. This energy is added to the feed enthalpy to compute the outlet temperature.

Chapter 11.2 PUMP 225

Input Description
The entries on the FEED statement are general to all unit operations. Refer to Section
10.2 for their usage description. The PRODUCT statement requires entry of a single liquid
product stream. No other entries are allowed. VLLE calculations do not apply to this unit.

OPERATION DP(unit)=0.0 or PRESSURE(unit)=value or
PRATIO=value,
EFF(PCT)=100.0
The OPERATION statement is required to specify outlet pressure conditions. It also allows
an optional efficiency entry.
DP This entry specifies the pressure rise above the combined

feed pressure. Negative values are invalid.
or
PRESSURE This entry defines the outlet pressure. It should be greater
than the pressure of the combined feed.
or
PRATIO This entry specifies the ratio of outlet pressure to inlet
pressure. PRATIO requires a value of 1.0 or greater to
ensure a pressure increase.
EFF This entry specifies the pump efficiency in percent. It is
allowed optionally.
If no solids are present in the feeds to the pump, the
default is 100%. When solid components are present in
any of the pump feeds, the default efficiency is 65%.

or
EFF and one of parameters DP, PRES, or PRATIO may be defined relative to any
available stream <reference> property (Tables 10.3-2 A-B) or unit operation <reference>
property (Table 10.3-3 A-H). Refer to Section 10.3 for a discussion of the DEFINE
construct. Examples appear at the end of this section.

METHODS SET=setid
When several thermodynamic method sets are available, the METHOD statement allows
selection of the set applicable to this unit operation. Refer to Section 10.2. Note that VLLE
methods are not available in the pump module.
Examples
1: Use a pump operating at 68 percent efficiency to raise the pressure of stream F101 by
50 psi. Remove the liquid product in stream L1.
PUMP UID=PUM1,NAME=FEED PUMP
FEED F101
PRODUCT L=L1
OPERATION DP(PSI)=50, EFF=68
2: Increase the pressure of stream F2 to five input pressure units above the pressure of
stream L3. Assume pump efficiency of 100 percent.
PUMP UID=PUM2
FEED F2
PRODUCT L=L2
DEFINE PRES AS STREAM=L3, PRES, PLUS, 5.0
3: Modify the pump of example 2 to have an efficiency taken from RESULT 3 of

CALCULATOR CAL4.
PUMP UID=PUM3
FEED F2
PRODUCT L=L2
DEFINE EFF AS CALCULATOR=CAL4, RESULT(3)
Chapter 11.2 PUMP 227


11.3 – VALVE
U
Keyword Summary
VALVE UID=uid, {NAME=text}

FEED sid { sid, . . .}
PRODUCT V=sid or L=sid, {W=sid, S=sid}
or
or

OPERATION DP(unit) or PRESSURE(unit)=value
or
Valid <param> entries are DP and PRES.

METHOD SET=setid
General Information
This unit simulates the pressure drop across a valve. An adiabatic flash determines the
outlet temperature at the specified pressure.
Input Description
The entries on the VALVE, FEED, and PRODUCT statements are general to all unit
operations. Refer to Section 10.2 for their usage details.

Chapter 11.3 VALVE 229

OPERATION DP(unit) or PRESSURE(unit)=value
The OPERATIONS statement allows specifying outlet pressure condition or pressure
drop. One entry either DP or PRESSURE is required.
DP DP specifies the pressure drop below the lowest feed
stream pressure. Negative values indicate pressure
or increase.
PRESSURE PRESSURE specifies the outlet pressure.

or
Parameters DP and PRES may be defined relative to any available stream <reference>
property (Tables 10.3-2 A-B) or unit operation <reference> property (Tables 10.3-3 A-H).
Refer to Section 10.5 for a discussion of the DEFINE construct. The VALVE allows only
one DEFINE statement.

METHOD SET=setid
selection of the set applicable to this unit operation. The VALVE unit operation supports
VLLE calculations when a VLLE methods set is selected. Refer to Section 10.2.
Examples
1: Use a valve to reduce the pressure of stream 2 by 50 psi. Designate the vapor product
as stream V1 and the liquid product as stream L3.
VALVE UID=VAL1, NAME=CONTROL VLVE
FEED 2
PRODUCT L=L3, V=V1
OPERATION DP(PSI)=50
2: Reduce the pressure of stream F2 to five input pressure units above the pressure of
stream L3.
VALVE UID=VAL2
FEED F2
PRODUCT M=M2

11.4 – MIXER
U
Keyword Summary
MIXER UID=uid, {NAME=text}

Both the FEED and PRODUCT statements are required.
PRODUCT V=sid or L=sid or M=sid or S=sid
Performance Specifications (optional)

OPERATION DP(unit)=0.0 or PRESSURE(unit)=value

or
Valid <param> entries are DP and PRESSURE.

METHOD SET=setid
General Information
The mixer combines two or more streams into a single product. The outlet pressure may
be specified, and an adiabatic flash computes the outlet temperature. To split products
into separate phases (vapor, liquid, and water), substitute a phase separator FLASH for
the MIXER.
Input Description
The entries on the MIXER and FEED statements are general to all unit operations. Refer
to Section 10.2 for their usage details.

Chapter 11.4 MIXER 231

Product Streams (required)
PRODUCT V=sid or L=sid or M=sid or S=sid
The PRODUCT statement requires entry of a single product stream. The mixer
determines the correct phase of the product and overrides the declared phase when
necessary. No other entries are allowed.

OPERATION DP(unit)=0.0 or PRESSURE(unit)=value
The OPERATION statement is optional and allows specification of the outlet pressure.
The default DP is 0.0, which is the same as specifying the pressure of the combined feed.
DP The pressure drop measured from the feed with the

lowest pressure. Negative values indicate pressure
increase.
or
PRESSURE The specified outlet pressure.

or
Either DP or PRESSURE may be defined relative to any available stream <reference>
property (Tables 10.3-2 A-B) or unit operation <reference> property
(Tables 10.3-3 A-H). Refer to Section 10.5 for a discussion of the DEFINE construct. The
MIXER allows only one DEFINE statement. Examples appear at the end of this section.

METHOD SET=setid
selection of the set applicable to this unit operation. The MIXER supports VLLE
calculations when a VLLE method set is selected. Refer to Section 10.2.

Examples
1: Blend streams A16, A10, and R4 at a pressure of 50 psia. Remove the mixed phase
product as stream M1.
MIXER UID=MIX1
FEED A16, A10, R4
PRODUCT M=M1
OPERATION PRES(PSIA)=50
2: Repeat example 1 at the pressure of feed stream A10.
MIXER UID=MIX2
FEED A16, A10, R4
PRODUCT M=M2
DEFINE PRES AS STREAM=A10, PRES
3: Use default values to blend streams A16, A10, and R4 at the pressure of the
combined feed (i.e., the pressure of the feed stream with the lowest pressure).
MIXER UID=MIX3
FEED A16, A10, R4
PRODUCT M=M3
Chapter 11.4 MIXER 233


11.5 – SPLITTER
U
Keyword Summary
SPLITTER UID=uid, {NAME=text}

Both the FEED and PRODUCT statements are required.
PRODUCT V=sid, V=sid, . . .
or
L=sid, L=sid, . . . .
or
M=sid, M=sid, . . .

Enter N-1 specifications for N products.
SPEC STREAM=sid, RATE(basis), {COMP=i,j}, {<op>,<ref>}

OPERATION DP(unit)=0.0 or PRESSURE(unit)=value,
OPTION=FILL or NORMALIZE
U U

or
Valid <param> entries are DP and PRESSURE.

METHOD SET=setid

Chapter 11.5 SPLITTER 235

General Information
This unit splits a single feed or a mixture of feeds into two or more products of identical
composition and phase. The outlet stream pressure may be specified. An adiabatic flash
calculates the outlet temperature and phase. If an insufficient feed rate prevents meeting
the specified split, options allow a choice of corrective action.
Input Description
The entries on the SPLITTER and FEED statements are general to all unit operations.
Refer to Section 10.2 for their usage details. An unlimited number of feeds are allowed.
The lowest individual feed pressure is used as the pressure of the combined feed.
PRODUCT V=sid, V=sid, . . .
or
L=sid, L=sid, . . . .
or
M=sid, M=sid, . . .
The PRODUCT statement requires entry of two or more product streams. All products
have the same phase and composition, as determined by the SPLITTER, regardless of
the phase declared here.
Phase separation of products from the SPLITTER is not available.
Split Specifications (required)

SPEC STREAM=sid, RATE(basis), {COMP=i,j}, {<op>,<ref>}
The SPLITTER requires (N-1) product specifications, where N is the number of products
defined on the PRODUCT statement. Each product stream except one requires a
specification to define its rate. The one product without a specification receives the
remaining feed.
All split specifications use forms of the generalized specifications described in Section
10.2. Only stream extensive (rate dependent) specifications are allowed, including total
stream or component rate, and stream or component recovery.
All product streams have the same phase and composition.

The RATE may be referenced to any stream property from Tables 10.3-2 A-B, or to any
available unit parameter listed in Tables 10.3-3 A-H. Examples appear at the end of this
section.

OPERATION DP(unit)=0.0 or PRESSURE(unit)=value,
OPTION=FILL or NORMALIZE
U U
The OPERATION statement is optional and allows specification of the outlet pressure.
The default DP is 0.0, which is the same as specifying the lowest individual feed pressure.
DP The pressure drop below the combined feed pressure.

Negative values indicate pressure increase.
or
PRESSURE The specified outlet pressure.
OPTION This allows selection of the method for handling cases when
the feed rate is insufficient to satisfy all the split
specifications. The default is FILL.
FILL FILL satisfies each specification in the order

of entry until the feed is exhausted.
The stream that encounters insufficient
feed is limited to the amount of remaining
feed, and all subsequent streams have a rate of
zero.
NORMALIZE This satisfies all split specifications
and then normalizes all specified
product flows to meet the material
balance. Any unspecified product has
a rate of zero.

or
Either DP or PRESSURE may be defined relative to any available stream <reference>
property (Tables 10.3-2 A-B) or unit operation <reference> property (Tables 10.3-3 A-H).
Refer to Section 10.5 for a discussion of the DEFINE construct. The SPLITTER allows
only one DEFINE statement. Examples appear at the end of this section.
Chapter 11.5 SPLITTER 237

METHOD SET=setid
selection of the set applicable to this unit operation. Refer to Section 10.2.
Examples
1: Feed streams F1 and F2 to a splitter and define three product streams 7, 8, and 9. Two
split specifications are required. Draw off 85 percent of the combined feed in stream 8.
Remove 120 moles in stream 9, allowing all remaining feed to go to stream 7. Perform the
split at the pressure of the combined feed.
SPLITTER UID=SPL1
FEED F1, F2
PRODUCT L=7, L=8, L=9
SPEC STREAM=8, RATE, DIVIDE, &
REFFEED, VALUE=0.85
SPEC STREAM=9, RATE, VALUE=120
2: Split feed stream S2 using a 5 psi pressure drop. Remove components 2, 3, and 4
from stream S2 at twice the rate of those components in reference stream R2. Label this
product stream 5, and direct any remaining feed to stream 4. Normalize the product
streams if the feed contains insufficient quantities of these components to meet the
specification.
SPLITTER UID=SPL2
FEED S2
PRODUCT M=4, M=5
OPERATION DP(PSI)=5.0, OPTION=NORMALIZE
SPEC STREAM=5, COMP=2, 4, RATE, RATIO, &
STREAM=R2, COMP=2, 4, RATE, VALUE=2
3: This problem is similar to example 2, except the pressure drop across the splitter is
defined equal to 0.5 psi less than the pressure drop across the flash unit FL1.
SPLITTER UID=SPL3
FEED S2
PRODUCT M=4, M=5
OPERATION DP(PSI)=5.0, OPTION=NORMALIZE
SPEC STREAM=5, COMP=2, 4, RATE, RATIO, &
STREAM=R2, COMP=2, 4, RATE, VALUE=2
DEFINE DP AS FLASH=FL1, DP, MINUS, 0.5

11.6 – COMPRESSOR
U
Keyword Summary
COMPRESSOR UID=uid, {NAME=text}

or
or

The OPERATION statement is required when no tabular performance curves are
supplied. The following options do not allow tabular performance curves.
OPERATION PRES (unit)=value or DP(unit)=value or
PRATIO=value or
WORK(unit)=value, WTOL=0.001, {PDESIGN=value},
or supply a PRES/PRATIO/HEAD/WORK curve
and
EFF(PCT)=100 or POLY(PCT)=100 or
TEMP(unit)=value,
or supply EFFICIENCY curve
CALC=ASME or GPSA, PRSWITCH=1.15,

U U
{PIN(unit)=value, TEST(unit)=value},
Valid only with HEAD/WORK/EFFI curves:

{RPM=value and REFRPM=value},
FANH=2.0, (with HEAD/WORK curves)
FANE=1.0 (with EFFICIENCY curve)

Chapter 11.6 COMPRESSOR 239

Tabular Performance Curves (optional)
PRES (unit, unit) rate, value/ ...
or
PRATIO (unit) rate, value / ...
or
HEAD (unit, unit) ADIA or POLY or ACTUAL=rate, value / ..
or
WORK (unit, unit) ADIA or POLY or ACTUAL=rate, value / ..
EFFICIENCY (unit, PCT) ADIA or POLY=rate, value / ..., PINLET=value
or
POUTLET=value
Aftercooler (optional)
COOLER ACTEMP (unit)=value, ACDP(unit)=0.0

or
Valid <param> entries are listed in Table 11.6-1.

METHOD SET=setid
General Information
The COMPRESSOR simulates a single stage isentropic compression. Outlet conditions
and power requirements may be calculated using an adiabatic or polytropic efficiency.
Two calculation procedures are available. The default method is from the GPSA
Engineering Data Book; the other is from the ASME Power Test Code 10.
Optional tabular data allows determination of compressor performance from head, work,
outlet pressure, or pressure ratio operating curves. Additionally, the user may supply
tabular efficiency curves. An optional aftercooler can cool the products to a specified
temperature. A flash drum separates vapor from liquid. VLLE calculations are supported.

Input Description
The entries on the COMPRESSOR, FEED, and PRODUCT statements are general to all
unit operations. Refer to Section 10.2 for their usage details.
Rigorous modeling of two liquid phases is possible by specifying VLLE thermodynamics.
Refer to Section 10.2 for a description of how VLLE methods change the significance of
the L and W product entries.

Compressor performance may be specified on an OPERATIONS statement or supplied as
tabular test curves. In either case, two degrees of freedom must be satisfied. Supplying
the pressure or work specification satisfies one and supplying the efficiency or
temperature specification satisfies the other.
PRATIO=value or
or supply a PRES/PRATIO/HEAD/WORK curve
and
EFF(PCT)=100 or POLY(PCT)=100 or
TEMP(unit)=value,
or supply EFFICIENCY curve
CALC=ASME or GPSA, PRSWITCH=1.15,

U U
{PIN(unit)=value, TEST(unit)=value},
Valid only with HEAD/WORK/EFFI curves:

{RPM=value and REFRPM=value},
FANH=2.0, (with HEAD/WORK curves)
FANE=1.0 (with EFFICIENCY curve)
PRESSURE One of these entries is required. PRESSURE specifies the outlet

or pressure. DP specifies the pressure increase over the lowest feed
DP stream pressure. PRATIO is the ratio of outlet pressure divided by
or inlet pressure and may have any value greater than one. WORK is
PRATIO the desired amount of work to produce. There are no default values
or for any of these entries.
WORK
TEMP Use the TEMP entry to specify the desired outlet temperature. When
or a good estimate of the outlet temperature is known, TEST may be
TEST used to enter the value. Neither entry is required.
EFF The EFF entry specifies an adiabatic efficiency, and POLY specifies
or the polytropic efficiency for expander operation. The default for both
POLY is 100 percent.
PIN This entry defines the inlet pressure used in calculations. The default
uses the pressure of the feed stream having the lowest pressure.

CALC Use this entry to choose a calculation method. Refer to the PRO/II
Reference Manual for more details. The default is GPSA. The options
include:
ASME The default method defined by ASME Power

Test Code 10. The ASME method is analytic,
while the GPSA method employs iterative
approximations to obtain convergence.
GPSA The method is taken from the GPSA

Engineering Data Book.
PRSWITCH The default is 1.15. Pressure ratios less than this value use the
GPSA “temperature equation” to compute isentropic “k” and
polytropic “n” coefficients. Higher ratios use the head equation. It is
used only when GPSA method is selected.
PDESIGN When WORK is entered, PDESIGN allows specifying a maximum

design outlet pressure. When supplied and the specified work results
in an outlet pressure greater than PDESIGN, the work is recomputed
to meet this minimum pressure. No limit applies to work when
PDESIGN is omitted.
WTOL This allows entry of the relative tolerance used to converge

calculations when WORK is entered. The default value is 0.001.
RPM RPM specifies the operating speed in revolutions per minute.

and REFRPM gives the machine design speed used to measure the
REFRPM performance curve. These entries allow scaling of the performance
curve from the reference design speed to the operating speed. The
user may supply both entries when using tabular HEAD or WORK
performance curves; otherwise they are invalid.
FANH This is the exponent used in the fan laws when HEAD performance
curves are supplied. The default is 2.0.
FANH
⎛ ⎞
HEAD = HEADref *⎜
RPM
⎜ RPM ref
⎟
⎟
⎝ ⎠
FANE This is the exponent used in the fan laws when tabular efficiency
curve data is supplied. The default is 1.0.
FANE
⎛ ⎞
EFF = EFFref *⎜
RPM
⎜ RPM ref
⎟
⎟
⎝ ⎠

Tabular Performance Curves (optional)
PRES (unit, unit) rate, value/ ...
or
PRATIO (unit) rate, value / ...
or
HEAD (unit, unit) ADIA or POLY or ACTUAL=rate, value / ..
or
WORK (unit, unit) ADIA or POLY or ACTUAL=rate, value / ..
EFFICIENCY (unit, PCT) ADIA or POLY=rate, value / ..., PINLET=value
or
POUTLET=value
Tabular performance curves allow evaluation of compressor performance as a function of
actual inlet volumetric flowrate. Curves are used as alternatives to the PRES, DP,
PRATIO, and WORK entries on the OPERATION statement. HEAD and WORK curves
allow ADIABATIC, POLYTROPIC, or ACTUAL data. Each compressor unit allows only
one performance curve, and it must contain property values for at least two different rates.
The dimensions for rate are gas volume units.
Optionally, the compressor operating speed may be varied to speeds other than the
design speed when HEAD or WORK curves are given. When the design and operating
speeds are entered on the OPERATION statement, the “fan laws” are applied to the
design curve to determine outlet conditions. The “fan laws” are usually accurate for
speeds within ten percent of the design speed. A warning is printed when this range is
exceeded.
Multiple tabular efficiency curves may be supplied when a performance curve is present.
Up to 10 efficiency curves may be supplied in one COMPRESSOR unit operation. If not
given, a single, constant value entry may appear on the OPERATION statement. If left
unspecified, the default is 100 percent adiabatic efficiency. Note that only adiabatic
efficiency may be used with an ADIABATIC HEAD or WORK curve. Only polytropic
efficiency is allowed with a POLYTROPIC HEAD or WORK curve. Either adiabatic or
polytropic efficiency is accepted with any other performance curves, and may be given on
a FRACTION basis if desired. If only one efficiency curve is supplied, PINLET or
POUTLET entry is not allowed. If more than one curve is supplied, each curve must
contain a PINLET or POUTLET entry, and all curves must specify the same keyword
(PINLET or POUTLET).

PINLET This is used to supply the inlet pressure for the compressor
efficiency curve. If the compressor feed stream pressure
matches a value supplied on the PINLET entry, that curve will
be used to obtain the actual compressor efficiency to be used. If
the feed stream pressure is bounded by two of the supplied
PINLET entries, the actual efficiency used will be calculated by
interpolation between the nearest two curves. If the feed stream
pressure lies outside the PINLET values, the actual efficiency
will be obtained from the curve with the nearest PINLET value.
POUTLET This is used to supply the outlet pressure for the compressor
efficiency curve. If the compressor product stream pressure
matches a value supplied on the POUTLET entry, that curve
will be used to calculate the actual compressor efficiency to be
used. If the product stream pressure is bounded by two of the
supplied POUTLET entries, the actual efficiency used will be
calculated by interpolation between the nearest two curves. If
the product stream pressure lies outside the POUTLET values,
the actual efficiency will be obtained from the curve with the
nearest POUTLET value.
Aftercooler (optional)
COOLER ACTEMP (unit)=value, ACDP(unit)=0.0
The COOLER statement defines a desired outlet temperature and allows entry of a
pressure drop. COMPRESSOR products are cooled to the specified conditions and
flashed to determine the final state.
ACTEMP This is the cooler outlet temperature and is required.

ACDP An optional entry, which specifies the pressure drop
through the cooler. The default DP is 0.0.

or
Table 11.6-1 lists all COMPRESSOR parameters allowed in DEFINE statements. They
may be defined relative to any available stream <reference> property (Tables 10.3-2 A-B)
or unit operation <reference> property (Tables 10.3-3 A-H). Refer to Section 10.5 for a
discussion of the DEFINE construct. Examples appear at the end of this section.

Table 11.6-1
DEFINE Statement <param> Entries
ACTEMP PRES
ACDP PRSWITCH
DP REFRPM
EFF RPM
PDESIGN TEMP
PIN POLY TEST
PRATIO WORK

METHOD SET=setid
Examples
1: Compress stream F1 to 500 psia at an adiabatic efficiency of 75 percent; then cool it to
130 F through an aftercooler with a 5 psi pressure drop.
COMPRESSOR UID=CMP1, NAME=COMPRESSOR 1
FEED F1
PROD V=V1
OPER PRES(PSIA)=500, EFF(PCT)=75
COOLER ACDP(PSI)=5, ACTEMP(F)=130
2: Compute the work and efficiency of a compressor at a temperature of
200 C and a pressure of 35 Bar.
COMPRESSOR UID=CMP2
FEED F2
PROD M=MIX2
OPER TEMP(C)=200, PRES(BAR)=35
3: Use 98 percent of the power from expander EX1 to compress stream 10 to a maximum
pressure of 1200 psia. Set the inlet pressure to the difference between the pressures of
stream 9 and flash unit F1. This compressor has the same polytropic efficiency as unit C9.
COMPRESSOR UID=CPR4
FEED 10
PROD V=11
OPER PDESIGN(PSIA)=1200
DEFINE WORK AS EXPANDER=EX1, WORK, TIMES, 0.98
DEFINE PIN AS STREAM=9, PRESSURE, MINUS, &
FLASH=F1, PRESSURE
DEFINE POLY AS COMPRESS=C9, POLY

4: Model a two stage compressor using two single stage COMPRESSOR units linked to
the same speed by a DEFINE statement. Define actual head with a performance curve
using tabular polytropic efficiency data. Simulate interstage cooling with an aftercooler
attached to the first stage. Adjust the RPM using a CONTROLLER to obtain a final outlet
pressure of 50 psia.
COMPRESSOR UID=1, NAME=STAGE 1
FEED 1
PROD L=1L, V=1V
OPER PRSWITCH=1.15, RPM=5000, REFRPM=5480
COOLER DP(PSI)=2, TEMP(F)=100
HEAD ACTUAL= 20000, 18760 / 22000, 17720 / 25000, 17060 /&
27000, 16000 / 30000, 15000 / 40000, 14000 / 70000, 10000
EFFICIENCY POLY= 20000, 76 / 30000, 78.0 / 70000, 75.0
$
COMPRESSOR UID=2, NAME=STAGE 2
FEED 1V
PROD V=2V
OPER REFRPM=5480
HEAD ACTUAL= 20000, 18760 / 22000, 17720 / 25000, 17060 / &
27000, 16000 / 30000, 15000 / 40000, 14000 / 70000, 10000
EFFICIENCY POLY= 20000, 76 / 30000, 78.0 / 70000, 75.0
DEFINE RPM AS COMPRESSOR=1, RPM
$
CONTROLLER UID=CTL3
CPAR ITER=10
SPEC STRM=2V, PRES(PSIA), VALUE=50
VARY COMPRESSOR=1, RPM
U

11.7 – EXPANDER
Keyword Summary
EXPANDER UID=uid, {NAME=text}

or
or

PRATIO=value or
and
EFF(PCT)=10,
{PIN(unit)=value, TEST(unit)=value}

or

METHOD SET=setid (No "S")
General Information
The EXPANDER simulates a single stage isentropic expansion unit. Specifying the outlet
pressure results in calculating the outlet temperature and power recovery. Alternatively,
defining the work determines the corresponding let-down pressure. Options allow entry of
the inlet pressure, efficiency, tolerance for convergence on work, and an estimate of outlet
temperature. When work is specified, a minimum design pressure may be entered.

Chapter 11.7 EXPANDER 247

Input Description
The entries on the EXPANDER, FEED, and PRODUCT statements are general to all unit
operations. Refer to Section 10.2 for their usage details.

PRATIO=value or
and
EFF(PCT)=10,
{PIN(unit)=value, TEST(unit)=value}
Two degrees of freedom must be satisfied when specifying EXPANDER performances.
One is based on pressure or work, and the other on efficiency.
PRESSURE One of these entries is required. PRESSURE specifies the

or outlet pressure. DP specifies the pressure drop below the
DP lowest feed stream pressure and must be positive. PRATIO is
or the ratio of outlet absolute pressure divided by inlet absolute
PRATIO pressure and may have any value greater than zero and less
or than one. Work is the desired amount of power to produce.
WORK There are no default values for any of these entries.
EFF This entry specifies the adiabatic efficiency for expander
operation. The default is 100 percent.
PIN This entry defines the inlet pressure used in calculations. The
default is the pressure of the feed stream having the lowest
pressure.
TEST When a good estimate of the outlet temperature is known,
TEST may be used to enter the value. This often speeds
convergence.
WTOLER This allows entry of the relative tolerance used to converge
calculations when WORK is entered. The default value is
0.001.
PDESIGN When WORK is entered, PDESIGN allows specifying a
minimum design outlet pressure. When supplied, and the
specified work results in an outlet pressure less than
PDESIGN, WORK is reset to meet this minimum pressure. No
limit applies to WORK when PDESIGN is omitted.

or
The following EXPANDER parameters may be defined on the DEFINE statement relative
to any available stream <reference> property (Tables 10.3-2 A-B) or unit operation
<reference> parameter (Tables 10.3-3 A-H): PRES, DP, PRATIO, WORK, EFF, PIN and
PDESIGN. Refer to Section 10.5 for a discussion of the DEFINE construct. Examples
appear at the end of this section.

METHOD SET=setid (No "S")
When several thermodynamic method sets are available, the METHODS statement allows
Examples
1: Expand stream 1 to a pressure of 200 psia using an efficiency of 83 percent. Decant
any condensed liquid as stream 4.
EXPANDER UID=EXP1, NAME=TURBO EXPAND
FEED 1
PROD L=4, V=3
OPER PRES(PSIA)=200, EFF=83
2: Combine and expand streams 1 and 4 to produce 210 horsepower of work. The
expander has an efficiency of 89 percent and a minimum allowable design pressure of
100 psia.
EXPANDER UID=E2
FEED 1, 4
PROD V=2
OPER WORK(HP)=210, EFF=89, PDESIGN(PSIA)=100
3: Modify example 2 using DEFINE statements. Set WORK to 90 percent of compressor
C1 and efficiency to be the same as expander E0.
EXPANDER UID=E2A
FEED 1, 4
PROD V=2
OPER PDESIGN(PSIA)=100
DEFINE WORK AS COMPRESSOR=C1, &
WORK, MULTIPLY, 0.90
DEFINE EFF AS EXPANDER=E0, EFF
Chapter 11.7 EXPANDER 249


11.8 – PIPE
U
Keyword Summary
PIPE UID=uid, {NAME=name}

PRODUCT V=sid, {W=sid, S= sid}
or
L=sid, {W=sid, S= sid}
or
V=sid, L=sid, {W=sid, S= sid}
or
M=sid, {W=sid, S= sid}
Configuration Data
LINE DIAMETER(unit)= value or NPS(INCH)= size, 40,
LENGTH(unit)= value, SEGMENT= 1,
ELEVATION(unit)= 0.0,
FLOWEFF(PCT)= 100.0, {FRICTION= value},
AROUGH(INCH)= 0.0018 or RROUGH= value,
DUTY(unit)= 0.0 or ISOTHERMAL or

U(unit)= value and TAMBIENT(F)= 60.0,
DPCORR= BBM, DPEST(unit)= 0.0, DPTOL=1.0,

{NOACCEL}, {BACK}, XOPTION=CONTINUE,
{KFACTOR= value}
Line Sizing Data

SIZE DPMAX(unit)=value, {VMAX(unit)=value},
{PMIN(unit)=value},
DIAMETER(INCH)=2 / 4 / 6 / 10 / 12 / 16 / 24 / 30 / 36 or
NPS = size, 40 / ...

Chapter 11.8 PIPE 251

(Valid <param> entries are listed in Table 11.8-3)
DEFINE <param> AS <unit type>= uid, <param>, {<op>, <ref>}

or
DEFINE <param> AS STREAM=sid, <param>, {<op>, <ref>}
METHODS SET= setid
General Information
The PIPE unit operation can calculate single- or mixed-phase pressure drops in piping
between various unit operations. Alternatively, it may be used to determine the line size
required for a given pressure drop or maximum line velocity.
Each PIPE unit may simulate one line, or both line and fitting. By default, the PIPE unit
simulates a line. Using both the LENGTH and KFACTOR entries results in calculations for
both line and fitting. Configurations involving a fitting followed by a line require two PIPE
units. To model a fitting by itself, supply a negligible value for LENGTH.
In the case of line and fitting combination, the PIPE unit assumes the fitting follows the line
in the direction of fluid flow. All heat transfer occurs in the line portion only, and the duty of
the fitting is zero. All other appropriate entries apply to both the line and the fitting. For
example, both the line and the fitting have the same diameter, flow efficiency, pressure
drop correlation, etc.
Product streams of a PIPE unit may be vapor, liquid, or mixed phase. Additional products
may remove decant water and solids separately. If the feed has a pressure drop less than
one psi (or equivalent), the products assume the inlet pressure. This allows a controller to
solve a series of PIPE units, even when one of the pipes has a negative outlet pressure.
In the case of zero-rate feed, the products have zero rates.
Several calculation methods are available, including the pressure drop correlations of
Beggs-Brill-Moody, Olimens, Dukler-Eaton-Flanigan, Mukherjee-Brill, Gray, Hagedorn-
Brown, and Beggs-Brill-Moody with the Palmer holdup modification. These methods apply
to a variety of piping situations, including single-phase, multi-phase, and gas condensate
systems in horizontal, vertical, uphill, and downhill configurations. Where applicable, the
PIPE unit computes friction factors by the method of Moody, using the iterative Colebrook-
White equation, with an initial value calculated from the explicit Jain equation.
The numerous choices provide great flexibility in finding an answer, but care must be
exercised. Answers are dependent upon the number of segments used and the ability of
the chosen pressure drop correlation to accurately describe the pipe configuration being
modeled. PRO/II also includes provisions for users to supply their own pressure drop
correlations.

The PIPE module uses vapor and/or liquid viscosity and, for two phase flow, surface
tension. The user must declare methods for computing these transport properties in the
THERMODYNAMIC DATA section (see Section 22, The METHOD Statement). Users
should give special attention to supplying adequate data that defines these necessary
properties (refer to Section 17, Component Properties).
Input Description
PIPE UID=uid, {NAME=name}
This is the first statement for each PIPE unit operation. The only entries are UID and
NAME, as described in Section 10.2, Unit Operation Input.

PRODUCT V=sid, {W=sid, S= sid}
or
L=sid, {W=sid, S= sid}
or
V=sid, L=sid, {W=sid, S= sid}
or
M=sid, {W=sid, S= sid}
Each PIPE module requires one FEED and one PRODUCT statement. All entries on both
statements are general to all unit operations. Refer to Section 10.2, Unit Operation Input,
for complete details.
V, L, or M These entries identify product streams as vapor, liquid, or mixed phase
streams. Each PIPE unit must have atleast one product stream declared
with one of these entries.
W This optional entry declares an additional liquid product that contains
decant water. It represents the aqueous liquid phase in VLLE
applications.
S An optional entry that declares an additional solid phase product

stream. When used, solids are separated and removed in this product.
VLLE Calculations
Refer to Section 10.2, Unit Operation Input, for a description of how VLLE methods
change the significance of the L and W entries on the PRODUCT statement.

Configuration Data
LINE DIAMETER(unit)= value or NPS = size, 40,
LENGTH(unit)= value, SEGMENT= 1,
ELEVATION(unit)= 0.0,
FLOWEFF(PCT)= 100.0, {FRICTION= value},

AROUGH(INCH)= 0.0018 or RROUGH= value,
DUTY(unit)= 0.0 or ISOTHERMAL or U(unit)= value and
TAMBIENT(F)= 60.0,
DPCORR= BBM, DPEST(unit)= 0.0, DPTOL= 1.0,

{NOACCEL}, {BACK}, XOPTION=CONTINUE,
{KFACTOR= value}
One LINE statement is allowed in each PIPE unit to supply configuration information. It
allows selection of the pressure drop correlation, the failure mode, and other calculational
parameters. To perform fitting calculations in place of or in addition to line calculations, the
KFACTOR entry must be present.
DIAMETER This specifies the inside diameter of the line or fitting. If used, the NPS
keyword is not allowed. The maximum allowed diameter is 144 inches
or its equivalent.
or
NPS Use the NPS entry to specify the nominal line size in inches and pipe
schedule number (for steel pipe), instead of an inside diameter. If no
value is given for the schedule, schedule 40 is the default used in
conjunction with the nominal size to calculate the line diameter. Either
DIAMETER or NPS (but not both) is required, unless performing sizing
calculations. Table 11.8-1 lists available values for the nominal pipe size
and pipe schedule.
Table 11.8-1 Available Nominal Sizes and

Pipe Schedules
Nominal Sizes (inches)

0.125 0.250 0.375 0.500
0.750 1.000 1.250 1.500
2.000 2.500 3.000 3.500
4.000 5.000 6.000 8.000
10.00 12.00 14.00 16.00
18.00 20.00 22.00 24.00
26.00 28.00 30.00 32.00
34.00 36.00
Pipe Schedules
10 60 140 20 80 160 30 100 40 120

LENGTH LENGTH supplies the pipe length and is required when
performing line calculations. The maximum allowable length is
900,000 feet (about 170 miles) or the equivalent.
SEGMENT
This optional entry specifies a number of equal length
segments into which the line LENGTH is divided for pressure
drop calculations. The default value is one segment. The
maximum allowed number of segments is 50.
Because pressure drop is calculated from the average
properties of each segment, it is recommended to divide long
pipes into segments of 10,000 feet or less. The accuracy of
the answer depends on the number of specified segments. If
the unit fails to converge, PRO/II automatically increases the
number of segments by a factor of five and tries to solve the
unit using the increased number of segments.
ELEVATION
The change in elevation of the pipe from inlet to outlet. The
default rise is zero (i.e., horizontal). The value may be positive
(uphill) or negative (downhill), but cannot be longer than the
total length provided by the LENGTH entry.
FLOWEFF
The flow efficiency, expressed as a percentage, enables linear
adjustment of the calculated pressure drop to match actual
conditions. The default is 100 percent. For given flow
conditions, decreasing FLOWEFF causes a corresponding
increase in the calculated pressure drop. The value for
FLOWEFF may be greater than 100. Where possible,
AROUGH and/or FRICTION are preferred to FLOWEFF for
accurate calibration of results.
FRICTION
This entry allows the user to define the Moody friction factor. If
not supplied, the PIPE unit calculates the Moody friction factor
using the modified Colebrook-White equations.
AROUGH
or AROUGH is the absolute roughness and RROUGH is the
RROUGH relative roughness of the pipe. The default value is an
absolute roughness of 0.0018 inch (or equivalent).
RROUGH is dimensionless. When using either of these
entries, the roughness applies to the fitting as well as the line,
when the PIPE unit includes calculations for both.
DUTY
The optional DUTY entry specifies external heat transfer into
or out of the PIPE unit, in millions of energy units per time unit.
A positive value indicates heat input, while a negative value
signifies cooling. The default value is zero. Note that heat
input to a backward calculation is the same as heat removal
from a normal, forward calculation. The SEGMENT entry
divides the duty equally among all segments. DUTY is
mutually exclusive with the ISOTHERMAL, U and TAMBIENT
options.

Or
ISOTHERMAL
Presence of this keyword forces the outlet temperature to be
the same as the inlet temperature and automatically calculates
the required duty. ISOTHERMAL is mutually exclusive with the
BACK, DUTY, U, and TAMBIENT entries.
Or
U
The overall heat transfer coefficient, based on the inside
diameter, is specified with this optional entry. Its use is
mutually exclusive with the DUTY and ISOTHERMAL options.
U requires the use of the TAMBIENT entry (see below). Units
for U are energy / area-time-degree.
And
TAMBIENT
The outside ambient temperature may be supplied only in
conjunction with the U entry. When specifying U and TAMBI-
ENT, the overall heat transfer is computed from the pipe inlet
and outlet temperatures, the heat transfer coefficient, the pipe
inside area, and the outside ambient temperature.
Table 11.8-2
Available Pressure Drop Correlations
DPCORR= Description
BBM The Beggs-Brill-Moody method (default). A good general
purpose correlation for all pipe lines, especially single-phase
systems.
BBP Beggs-Brill-Moody with the Palmer modification to liquid
holdup, based on experimental data for uphill and downhill
lines.
OLIMENS Olimens correlation for gas condensate systems.
DEF Dukler-Eaton-Flanigan hybrid correlation for gas condensate
systems that are mainly gas.
MB Mukherjee-Brill correlation for gas condensate systems.
Discontinuities in the correlation require care by the user. Use
at least 2 pipe segments to avoid failures due to changing flow
regimes.
GRAY Gray’s correlation. Recommended for vertical gas condensate
systems. It should not be used for horizontal lines.
HB Hagedorn-Brown correlation. Recommended for vertical liquid
systems. It should not be used for horizontal lines.
These select user-defined pressure drop correlations. See the
DP1 or DP2
PRO/II User-Added Subroutine Manual for more information.

DPCORR The DPCORR entry selects the correlation method for calculating
the pressure drop in the line (or fitting). Selecting a correlation
appropriate to the application may be crucial to obtaining meaningful
results. Table 11.8-2 lists all the available options. The default is
BBM, the Beggs-Brill-Moody method.
DPEST This optional entry supplies an estimate of the pressure drop
through the entire length of the pipe. An accurate estimate often
reduces computing time.
DPTOL An optional relative convergence tolerance for the pressure drop
calculations. The default allows a one percent maximum change in
the calculated pressure drop per pipe segment between each
successive iteration.
NOACCEL Presence of this keyword disables the acceleration pressure

gradient. Under certain high velocity or high pressure drop
conditions, the Beggs and Brill acceleration term becomes
unrealistically large and dominates the equation. Dropping the term
results in a better answer in this case. Note that the Beggs and Brill
equation was not developed for the critical flow region.
BACK causes the PIPE unit to calculate the pressure drop in a

backward, or reverse, direction, i.e., from the outlet to the inlet. The
feed conditions are taken as the outlet conditions, and the product is
BACK
set to the (computed) inlet conditions. The BACK entry excludes use
of the ISOTHERMAL, U, and TAMBIENT entries, and the entire
SIZE statement; however, it allows the DUTY entry.
Heat input to a backward calculation is the same as heat

removal from a normal (forward) calculation.
This option selects the corrective action performed for certain types
of computational failures. The two available options are CONTINUE
XOPTION
(the default) and STOP.
CONTINUE A failed pressure drop calculation uses the best

available solution or sets a negative outlet pressure to
a low value. A failed sizing calculation uses the line
diameter that most closely satisfies the specification
(PMIN, DPMAX, or VMAX) and prints a warning
message. In either case, flow-sheet calculations
continue. A maximum of 3 consecutive failures is
allowed if the failed PIPE unit is inside a recycle loop.
This allows negative pressures on intermediate
iterations before ultimately solving to a valid solution.
STOP All flowsheet calculations terminate upon

encountering a negative pressure, or if the PIPE unit
fails to reach a valid solution.

KFACTOR This entry is required if a PIPE unit includes calculations for a
fitting. The KFACTOR is defined as the total resistance coefficient
for the fitting, including allowances for multiple fittings, valves, and
exit losses. The maximum allowed KFACTOR is 100.0.
Fitting calculations do not compute two-phase or average Moody friction

factors.
Line Sizing Data

SIZE DPMAX(unit)= value, {VMAX(unit)= value},
{DIAMETER(unit)= value / ... or
{PMIN(unit)=value},
NPS= size, 40 / ...}

The SIZE statement allows calculation of the line size required for a specified minimum
outlet pressure or a maximum pressure drop. Only one SIZE statement is allowed.
Optionally, the user may supply a set of allowable pipe DIAMETERs or a set of nominal
pipe sizes and schedules. The maximum allowed diameter is 144 inches or its equivalent.
By default, the PIPE unit uses an internal set of typical pipe sizes to calculate the
appropriate diameter to meet the line sizing constraint (PMIN or DPMAX).
If none of the allowable sizes are appropriate, a warning message is printed and the
program ’rounds’ the pipe size to the first allowable size. For example, if the desired
pressure drop isn’t reached, the program picks the line size that gives the value nearest
the specification. This is defined as the minimum allowable outlet pressure for the unit.
SIZING calculations require a value to be specified for either DPMAX or PMIN.

In addition, the user may impose a maximum average fluid velocity constraint on the
sizing calculations by using the VMAX entry. If given, the sizing algorithm never exceeds
this velocity, even if DPMAX specification has not been violated.
The SIZE statement cannot appear in any PIPE unit that includes calculations for
a fitting. When the KFACTOR entry appears on the LINE statement, use of the SIZE
statement is invalid.
DPMAX This is the maximum allowable pressure drop through the line. All
sizing calculations require a value supplied for DPMAX.
VMAX This option defines the maximum allowable average fluid velocity.
The dimensional units are length / time units (FT/SEC for English
units, M/SEC for metric or SI units). If this entry is omitted, the PIPE
unit uses only the pressure drop specification to converge the sizing
calculations.

PMIN This option defines the minimum pipe radius allowed.
DIAMETER An optional list of line diameters that are searched during sizing
calculations to determine the correct line size. The maximum
number of diameters that may be specified is 10, and the
maximum allowed diameter is 144 inches (or equivalent). If
missing, the PIPE unit uses a default set of typical diameters.
The default inside diameter values (in inches) are:
1.0, 2.0, 4.0, 6.0, 10.0, 12.0, 16.0, 24.0, 30.0, and 36.0.
or
NPS As an alternative to providing inside diameters, this option
supplies Nominal Pipe Size, in inches, and Schedule data for
performing sizing calculations. The maximum allowed number
of data pairs is 10. The default diameters (listed above) apply
when this entry is omitted. Pipe schedule 40 is the default when
values are not given for the pipe schedule numbers. Table
11.8-1 lists allowable nominal pipe sizes and pipe schedules.
DEFINE <param> AS <unit type>= uid, <param>, {<op>, <ref>}
or

Valid <param> entries are listed in Table 11.8-3. Multiple DEFINE statements are allowed.
Refer to Section 10.5, for a description of the DEFINE statement.
Table 11.8-3
Entries Allowed On DEFINE Statements
Input
Statement Valid <param> Entries
LINE DIAMETER LENGTH FLOWEFF
FRICTION AROUGH RROUGH
DUTY U KFACTOR
SIZE VMAX
METHODS SET= setid

The METHOD statement allows selection of the thermodynamic method set applicable to
the PIPE unit operation when two or more sets appear in the Thermodynamic Data

section. Refer to Section 10.2, Unit Operation Input, for information about defining and
selecting thermodynamic sets.
Examples
1: Segmented Pipe Pressure Drop Calculations
Stream F1 flows through a 175 foot long pipe of 4 inch inside diameter with an absolute
roughness of 0.002 inches. Use 7 segments, each 25 feet long, to compute the total
pressure drop in the line.
PIPE UID= LIN1, NAME= LINE-DP
FEED F1
PROD L= L1
LINE DIAMETER(INCH)= 4.0, LENGTH(FT)= 175.0, &
AROUGH(INCH)= 0.002,SEGMENT= 7
2: Pipe Sizing Calculations

Size a schedule 40 steel pipe fed by stream F2 to obtain a maximum 12.5 psi pressure
drop in 100 feet of length. Available nominal line sizes are 2, 4, 6, and 10 inch schedule
40, 8 inch nominal schedule 60, and 12 inch nominal schedule 80.
Schedule 40 is the default when the pipe schedule is missing.

PIPE UID= SIZ2
FEED F2
PROD M= L2
LINE LENGTH= 100
SIZE DPMAX= 12.5, &
NPS= 2.0,40 /4.0, /6.0, /8.0,60 /10.0, /12.0, 80

Results:
Nominal Line Pressure

Size Drop
2 inch 18.17
4 inch 13.22
* 6 inch 11.98
8 inch 8.49
10 inch 5.77
12 inch 2.33
Comments: The 6 inch diameter line comes closest to the required pressure
drop without exceeding the specification. If only line sizes of 8, 10,
and 12 inches were available, the PIPE unit would select the 8 inch
line as the ‘‘best’’ available solution and would print a warning
message.

3: Multiple PIPE Units
Size lines separately for streams F3A and F3B so that each line has a maximum velocity
of 25 ft/sec with a pressure drop of 10 psi in 200 feet. Available schedule 40 pipes have
inside diameters of 2, 4, 6, 8, 10, and 12 inches.
PIPE UID= 3A, NAME= CASE-A FEED F3A PROD L= L3A LINE LENGTH(FT)= 200
SIZE DPMAX(PSI)= 10.0, VMAX(FT/S)= 25.0, &
DIAMETER(INCH)= 2.0 / 4.0 / 6.0 / 8.0 / 10.0 / 12.0
PIPE UID= 3B, NAME= CASE-B FEED F3B PROD L= L3B LINE LENGTH(FT)= 200,
SIZE DPMAX(PSI)= 10.0,VMAX(FT/S)= 25.0, &
DIAMETER(INCH)= 2 / 4 / 6 / 8 / 10 / 12
Results:
Line Size Velocity
Inside Pressure
Diameter Drop Case A Case B
2 inch 18.1 27 49
4 inch 13.2 20 37
6 inch 11.5 13 34
8 inch 9.9 *9 29
10 inch 6.3 7 *18
12 inch 3.2 4 15
Comments: Case A: The 8 inch line is chosen since the 6 inch pipe violates the
pressure drop specification, even though the average velocity is below
VMAX.
Case B: The 10 inch pipe is chosen, since the 8 inch pipe violates
MAX, even though it meets the pressure drop specification.
4: Fitting Calculations
Calculate the pressure drop for a fitting with an equivalent pipe inside diameter of 4.00
inches with the total resistance to flow expressed as a KFACTOR of 3.13. The total heat
duty is 0.50 million Btu/hour transferred through the fitting. A tolerance of five percent
between successive iterations is adequate for convergence of the pressure drop
calculations.
PIPE UID= FIT1
FEED F1
PROD L= L1
LINE DIAMETER(INCH)= 4.00, KFACTOR= 3.13, LENGTH=0.001, &
DUTY(BTUH)= 0.50, DPTOL= 0.05
5: Combined Fitting and Line Calculations

Use a single PIPE unit fed by streams FLQ1 and FLQ2 to model the pressure drop in a
fitting followed by a 225 foot line. The fitting has a KFACTOR of 0.21. Both the fitting and
line have a nominal diameter of 6 inches (schedule 40) and an absolute roughness of
0.0011 inches. The line has a total duty of 1.5 million BTU per hour and a total elevation
drop of 10 feet. Model the line using 10 segments, each 22.5 feet long, using the Palmer
modification of the Beggs-Brill-Moody correlation to account for downhill liquid holdup.
Remove the liquid product in stream L5, with any vapor vented as product stream V5. Set
the conergence tolerance for pressure drop calculations to 0.5 percent. Use the (default)
CONTINUE option in case the PIPE unit fails to solve.
The fitting is assumed to follow the line along the direction of fluid flow.
All the duty is attributed to the line, and the duty of the fitting is assumed to be zero. The
elevation is entered as a negative value to indicate a 10 foot drop.
PIPE UID= PIP5, NAME= LINE-DP
FEED FLQ1, FLQ2
PROD L= L5, V= V5
LINE NPS= 6.0, 40.0, LENGTH(FT)= 225.0, &
ELEVATION(FT)= -10.0, AROUGH(INCH)= 0.0011, &
SEGMENT= 10, DUTY(BTUH)= 1.5, &
DPCORR= BBP, DPTOL= 0.005 &
KFACTOR= 0.21, XOPTION= CONTINUE

11.9 – BLEND
U
Keyword Summary
BLEND UID=uid
FEED sid, sid,
PRODUCT sid
IPARM 0 or 1
RPARM temp, {pres}
METHOD SET=setid
The CDATA=VARIABLE keyword option must also be specified on the CALC

statement in the General Data Category of Input. See Chapter 5.
General Information
The Blend unit allows you to blend two or more streams to give one product stream with
different component and refinery inspection properties.
Keyword Description
General Data Component Data Option (required)
BLEND UID=uid
FEED sid, sid, ...
PRODUCT sid
IPARM 0 or 1
RPARM temp, {pres}
METHOD SET=setid
IPARM The IPARM statement checks that all the methods in the problem have
the same refinery properties, methods, and bases specified. This check
may be performed either during input processing (PROIN) or at
calculation time (PROCALC).
0 This IPARM value checks the thermodynamic method set
consistency in PROIN.
1 This IPARM value checks the unit thermodynamic method
sets in PROCALC.

Chapter 11.9 BLEND 263

RPARM
temp This entry is required and is equal to the product stream
temperature.
pres This optional entry is the product stream pressure. If a value
for the pressure is not supplied, the product stream will be
set to the lowest feed stream pressure.
General Notes: The feed streams should have different thermodynamic methods for this
unit to function correctly, but this is not necessary. The unit thermodynamic method must
be different from any of the feed stream thermodynamic methods.
The unit thermodynamic method component properties will be recalculated from the blend
of the feed streams’ properties and will then be stored as part of that thermodynamic
method data storage. Only petroleum and assay generated component properties will be
recalculated; it is assumed that Library component properties do not change in the
flowsheet. The unit first recalculates the normal boiling point, molecular weight and
specific gravity for all the petroleum components. These recalculated properties are then
used to recharacterize all the other petroleum fraction properties such as the critical
temperature.
Using the Blend Unit with Refinery Inspection Properties: Any refinery inspection
properties specified in the input will also be blended from the feed streams’ properties
using the specified blending method for that property. It is necessary that every
thermodynamic method must have the same refinery inspection properties specified and
that these properties must use the same property method and blending basis in order for
the unit to work. A check is done in PROIN to check that all the methods in the problem
have the same refinery properties, methods and bases specified. The user can request
this check to be done at calculation time on the methods used in the current unit using the
IPARM entry.
Requesting this check at PROCALC time should be used with care and is not
recommended.
Examples
1: Use the Blend unit to produce a blended product stream from two feeds, L1 and L2,
with different refinery inspection properties. The product, M1, is produced at conditions of
100 F and 20 psig.
TITLE PROJ=BLEND, PROB=59
CALC CDATA=VARIABLE . . . UNIT OPERATIONS
BLEND UID=BL2 FEED L1, L2
PROD M1 IPARM 0 RPARM
200,20 METHOD SET=SET3

11.10 – RESET
U
Keyword Summary
RESET UID=uid
FEED sid
PRODUCT sid
CONST option
METHOD SET=setid
General Information
In version 4.1, PRO/II will issue a warning message if the thermodynamic method of a unit
operation is different from the thermodynamic method of any of the streams feeding that
unit. This warning message will apply to all unit operations except for the RESET unit, the
BLEND unit and any Profimatics Refinery reactor units.
The purpose of the RESET unit is to allow the user to reset the enthalpy datum for the
feed stream to any unit using the correct thermodynamic method of the unit that it feeds.
Keyword Description
RESET UID=uid
FEED sid
PRODUCT sid
CONST option
METHOD SET=setid
Only one feed and one product stream are allowed to and from the unit. An error
will be given if the user specifies more than one feed or product stream.

Chapter 11.10 RESET 265

CONST option The feed stream pressure is always kept constant and the user can
specify whether to keep the temperature, enthalpy, dew point,
bubble point or vapor fraction constant.
The new product stream conditions will be calculated depending on
the requested option. The calculation options are as follows:
TEMP Specify the product stream at the feed stream
temperature.
ENTH Specify the product stream at the feed stream enthalpy.
VFRA Specify the product stream at the feed stream vapor fraction.
DEW Specify the product stream at the feed Dew point temperature
BUBB Specify the product stream at the feed Bubble point temperature.
If the feed falls outside the multiphase boundary, the ∆T above dew point or ∆T
below bubble point is preserved.
Examples
1: Two flash drums use different thermodynamic method sets. The product from the first
flash is fed to the second flash. Use the reset unit to reset the enthalpy basis for the feed
stream to the second flash drum.
TITLE PROJECT=RESET UNIT, PROBLEM=RESET DIMEN
TEMP=C, PRES=BAR COMPONENT DATA LIBID 1, C1 / 2,
C2 / 3, C3 / 4, IC4 / 5, NC4 / 6, IC5 / & 7, NC5 / 8, NC6 / 9, NC7
/ 10, N2 / 11, CO2
THERMODYNAMIC DATA METHOD
SYSTEM=SRK,TRANS=PETRO,SET=SET1 METHOD
SYSTEM=GS,TRANS=PETRO,SET=SET2
STREAM DATA PROPERTY STRM=1, TEMP=-20,
PRES=5, & COMP=1/1/1/10/10/10/10/10/10/1/1
UNIT OPERATIONS
FLASH UID=FL1 FEED 1 PROD M=M1 ISO TEMP=-20,PRES=5
METHOD SET=SET1
RESET UID=RS1
FEED M1
PROD 2
CONSTANT ENTH
METHOD SET=SET2
FLASH UID=FL2 FEED 2 PROD M=M2 ISO TEMP=-20, PRES=5
METHOD SET=SET2

11.11 – COMPONENT
U
PROPERTY
REPORTER
Keyword Summary
CREPORT UID=uid
No other input is required in the Unit Operation category of input.
General Information
This unit prints out the component properties and refinery inspection properties for all the
thermodynamic methods in the current flowsheet as part of the output report.
Keyword Description
CREPORT UID=uid
No other input is required in the Unit Operation category of input.

Chapter 11.11 COMPONENT PROPERTY REPORTER 267

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11.12 – CAPE-OPEN
U
Keyword Summary
CAPEOPENUNIT UID=uid
PROGID = Simsci.Mixer.100
FEED sid, sid,…
PRODUCT sid …
DATAFILE = {testAllUnitsRunP2_CO11.dat}
or
PARAMETERS = {PRESSURE, 1.0133E5/TEMPERATURE, 273.15/Duty,
0}
METHOD SET=setid
General Information
CO-LaN (the CAPE-OPEN Laboratories Network) is a neutral industry and academic
association promoting open standards in process simulation software. CAPE-OPEN offers
a uniform standard for interfacing, process modeling software components developed
specifically for the design and operation of chemical processes. These standards allow
integration of different software components like Unit Operations and Thermodynamic
Property Packages from different vendors into a single simulation
PRO/II supports access to CAPE-OPEN Unit operations 0.93 and 1.0 CAPE-OPEN
versions. PRO/II can call out to the user interface, the calculations, and the report
generation functionality of a CAPE-OPEN unit operation. PRO/II supports COM
persistence, if the CAPE-OPEN unit supports IPersistStream, IPersistStreamInit,
IPersistStorage and IPersistPropertyBag.
Since users do not know programid and parameter names of CAPE-OPEN unit , it is
always better to use the unit operation through GUI and export to keyword file.
Keyword Description
CAPEOPENUNIT UID=uid
PROGID = Simsci.Mixer.100
FEED sid, sid, ...
PRODUCT sid,sid,..

Chapter 11.12 CAPE-OPEN 269

DATAFILE = { testAllUnitsRunP2_CO11.dat}
or
PARAMETERS = { PRESSURE,1.0133E5/TEMPERATURE,273.15/Duty,0}
METHOD SET=setid
DATAFILE If CAPE-OPEN unit supports COM persistence, PRO/II saves the state of
the unit operation in a binary file named prz_uid.dat. If the prz file is exported having
CAPE-OPEN unit, the file will be created. If the data file is not provided, unit operation
parameters values will be set to defaults.
PARAMETERS If CAPE-OPEN unit does not support COM persistence, parameter
values can be given through Parameter card. Only integer and real parameters are
supported through keywords. Separate parameter card should be given for integer and
real parameter values. Parameter value should be provided after Name and separated by
comma as indicated above. Each parameter set must be separated by a slash. If the
parameter values are not provided, the unit operation will be set to default.
Examples
TITLE DATE=04/13/04
DIMENSION SI, PRES=PA, STDTEMP=273.15,
STDPRES=101325
COMPONENT DATA
LIBID 1,C1/2,C2
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=200,
PRESSURE=7E5, PHASE=M, &
COMPOSITION(M,LBM/H)=1,100/2,100
PROPERTY STREAM=S1_CO, TEMPERATURE=200,
PRESSURE=7E5, &
PHASE=M, COMPOSITION(M,LBM/H)=1,100/2,100
UNIT OPERATIONS
CAPEOPENUNIT UID=CO1
PROGID=Simsci.SampleFlash.093
FEED S1_CO
PRODUCT S2_CO,S3_CO
PARAMETERS=PRESSURE,7E5/TEMPERATURE,200
CAPEOPENUNIT UID=CO4
PROGID=Simsci.SamplePersistC.1
FEED S1
PRODUCT S2
DATAFILE=testAllUnitsRunP2_CO4.dat
END

12 – DISTILLATION
U
Introduction
PRO/II offers a selection of distillation algorithms, initial estimate generators, and
simulation options to model virtually any distillation problem. All the rigorous distillation
algorithms are available from within the COLUMN unit operation. Often, more than one
algorithm is suitable for a given problem. Because the input data options are so
extensive, chapter 12 has been organized into the following sections.
Section 12 - Overview
Section 12.1 - Summary of general input data and features, variously
available in two or more of the rigorous models, including the
®
IO, CHEMDIST, RATEFRAC routines, and SURE
P P
algorithms
Section 12.2 - Inside-Out (IO) Algorithm specific features
Section 12.3 - SURE Algorithm specific features
Section 12.4 - CHEMDIST Algorithm specific features
Section 12.5 - Reactive Distillation (available with CHEMDIST and LLEX
algorithms)
Section 12.6 - Enhanced IO (EIO) Algorithm specific features
Section 12.7 - Column Hydraulics: Tray sizing/rating and packed column
sizing/rating
Section 12.8 - Shortcut distillation specific features
Section 12.9 - Liquid-Liquid Extractor (LLEX) specific features
®
Section 12.10 - RATEFRAC P P routine rate-based distillation specific features
Usage Guidelines
The IO, Enhanced IO, CHEMDIST, SURE, and LLEX algorithms all solve using
®
equilibrium based calculations. The RATEFRAC software algorithm is a rate-based
P P
distillation model that uses technology licensed from Koch-Glitch. Refer to section
12.10.
The Inside-Out (IO) algorithm is applicable for the widest class of applications and
operating conditions. This algorithm is the default. This is a good first choice when
in doubt about which algorithm to use. See section 12.2.
Chapter 12 DISTILLATION 271

®
RATEFRAC P P is a trademark registered to KOCH-GLITSCH
The Enhanced IO (EIO) algorithm supports some features not available in the basic IO
algorithm, including total draws and water decant from any tray. This is the
recommended model when the IO algorithm is appropriate, but these additional
features are present. Refer to section 12.6.
The CHEMDIST algorithm is best suited for non-ideal systems and systems forming
two liquid phases in equilibrium with a vapor phase (VLLE). Often, the CHEMDIST
algorithm is the best alternative when the IO algorithm encounters difficulty. See
section 12.4.
The SURE algorithm is an extremely versatile algorithm for a wide class of distillation
problems. It is a good alternative when the IO or CHEMDIST algorithms
experience convergence difficulty. The SURE algorithm is the best model for
simulating hydrocarbon distillations that utilize total pumparounds, and systems that
form free water below the condenser. Refer to section 12.3.
The LLEX algorithm is a specialized algorithm for solution of liquid-liquid extraction
columns. Do not use it when vapor is present during the separation.
®
The RATEFRAC software algorithm is the only rate-based distillation algorithm in the
P P
PRO/II column. It uses fundamental mass and heat transfer relationships to model
the actual separation on a physical tray or volume of packing. See section 12.10.
Additional Features
PRO/II offers several significant capabilities that extend the utility of the basic
separation algorithms. These include:
Column Hydraulics Tray sizing/rating and packed column sizing/rating are options
available to all the algorithms listed above. Refer to section 12.7. These
capabilities are optional for the IO, Enhanced IO, CHEMDIST, and SURE
algorithms.
®
For the RATEFRAC software algorithm, column hydraulics data are required to
P P
define the non-equilibrium segments that participate in rate-based calculations. In

®
the absence of any supplied column hydraulics data, RATEFRAC software P P
assumes all segments are equilibrium trays. In such cases, it bypasses all rate-
based calculations.
The LLEX algorithm does not support column hydraulics, since a vapor phase
(absent in an LLEX simulation) is needed to properly size and rate sections in a
column.
Reactive Distillation simulations require user-supplied sets of reaction data in the
column definition. The CHEMDIST and LLEX models are the only ones that
support reactions Refer to section 12.5.
The SHORTCUT algorithm quickly affords the user insight into the separation
characteristics of many column operations. It performs Fenske calculations to
predict product distributions for most column configurations, including multi-feed,
multi-product fractionators. For one-feed, two-product columns, it provides the
option of determining the minimum reflux ration using the Underwood method.

Generally, it is not the preferred method for modeling a column embedded in a
larger flowsheet.
Chapter 12 DISTILLATION 273

12.1 – COLUMN INPUT
U
PRO/II provides six algorithms for modeling the rigorous solution of various distillation
columns. This section presents an in-depth discussion of features available to more than
one algorithm. Not all features listed here are available for all algorithms. In addition,
most of the models employ some features that are not available to other algorithms.
Please refer to later sections of chapter 12 for a more definitive listing of features unique
to each model.
Keyword Summary

COLUMN or SIDESTRIPPER or SIDERECTIFIER UID = uid, {NAME = text}
Column Parameters (required)

PARAMETER
IO = 15,
U UERRINC = 1.0, (Inside-out algorithm)
DAMP = 1.0, TRAY = value (Conventional)
or
SURE = 10, STOP = 5, CAVE=0, (SURE algorithm)
TRAY= value , KEY = i, { FREEWATER }
or
CHEMDIST = 20, DAMP=1.0, (CHEMDIST algorithm)
TRAY = value , ERRINC = 100, CUTOFF = 1.0E–8
or
ENHANCEDIO = 15, ERRINC = 1.0, (Enhanced IO algorithm)
TRAY = value, { FREEWATER }
DAMP = 1.0, (Conventional)
or DAMP = 0.8 (Heavy ends)
®
Or RATEFRAC=30, (RATEFRAC routines) P P
SEGMENTS=value, DAMP=1.0
or
LLEX = 30, DAMP=1.0, (LLEX algorithm)


FEED sid, segno / ..., SEPARATE or NOTSEPARATE U U
SUPERCEDE=ON or OFF
U U U U
PRODUCT OVHD(M or LV or WT, urate) = sid, value, (All algorithms) U U
BTMS(M or LV or WT, urate) = sid, value,

U U
{ LDRAW(M or LV or WT, urate) = sid, segno, value /...,} U U
{ VDRAW(M or LV or WT or GV, urate) = sid, segno, value /...,} U U
or (Enhanced IO)
{ LDRAW(M or LV or WT, urate) = sid, segno, value, TOTAL /...,}
U U
{ VDRAW(M or LV or WT or GV, urate) = sid, segno, value, TOTAL /...,}

U U
or (SURE, or Enhanced IO, FREEWATER not active)

{ WATER(M or LV or WT, urate) = sid, 1, value
U U
or (SURE, or Enhanced IO, FREEWATER active)

{ WATER(M or LV or WT, urate) = sid, segno, value /...}
U U
and (SURE, VLLE active)

{ L1DRAW(M or LV or WT, urate) = sid, segno, value /...}
U U

U U
or (CHEMDIST, VLLE active)

{ L1DRAW(M or LV or WT, urate) = sid, segno, value/...,}
U U

U U
{ L1PART(M or LV or WT, urate) = sid, segno, value/...,}

U U

U U
{ OVHD(L1 or L2, M or LV or WT, urate) = sid, value } U U
(If used, OVHD(L1 or L2) replaces the normal OVHD entry. See Section 12.4)
Column Pseudo Products (optional)

TFLOW { NET(V or L) = sid, segno /...,
TOTAL(V or L) = sid, segno /...,
PA(V or L) = sid, segno, segno /...,
TSFEED = sid, TSLIQUID = sid, TSVAPOR = sid } (IO only)
Condenser Type (optional - not allowed in IO sidestrippers or

LLEX)
CONDENSER TYPE = PART or MIXED or BUBB
{ PRES(upres)=value, TESTIMATE(utemp) = value,}
or
TYPE = TFIX, TEMPERATURE(utemp) = value,
{ PRES(upres)=value,
or
TYPE = DTBB, DT(utemp) = value,
{ PRES(upres)=value }
Chapter 12.1 COLUMN INPUT 275

Condenser, Reboiler, Side Heater/Coolers (optional)
DUTY( uduty ) idno, segno, value {, name} / ....
or
®
DUTY( V or L, uduty ) idno, segno, value {, name} / .... (for RATEFRAC ) P P
(Duty units are millions of energy/time units. HEAT is an alias for DUTY)
Reboiler (optional – not allowed in LLEX)

REBOILER TYPE = KETTLE or THERMOSIPHON, (for IO only) U U
BAFFLE = NO or YES, U U
{ RATE(M or WT or LV) = value or

U U
LFRAC(M or WT or LV) = value or

U U
VFRAC(M or WT or LV) = value or U U
TEMP(utemp) = value or DT(utemp) = value ,}

{ LFEST(M or WT or LV) = value,
U U
VFEST(M or WT or LV) = value, U U
RTEST(umrate) = value }
The THERMOSIPHON reboiler option is available only with the IO and ENHANCED
IO algorithms. Merged columns, siderectifiers and sidestrippers do not allow a
thermosiphon reboiler.
Column Heat Loss/Gain (optional)

QSPEC(uduty) = segno, value / ...
or
QCOLUMN QCOND(uduty) = value, QREBO(uduty) = value,
QCOL(uduty) = value or QTRAY(uduty) = value
(Duty values are in millions of energy/time units.)
Pumparounds and Bypasses (optional – not available with

CHEMDIST)
PA FROM = tno1, TO = tno2, B B B B
{ PRES(upres) = value, PHASE = L or V,} U U
and
RATE(M or WT or LV) = value
U U
®
or TOTAL (SURE, Enhanced IO, and RATEFRAC ) P P
and/or
®
LFRAC(M or WT or LV) = value
U U (not available for RATEFRAC ) or P P
TEMP(utemp) = value or DT(utemp) = value
Pressure Profile (required)

PRESSURE(upres) segno, value / ....
or
PSPEC PTOP(upres) = value,
{ DPCOL(upres) = 0.0 or DPTRAY(upres) = value }

Initial Estimate Generator (optional)
ESTIMATE MODEL = SIMPLE or CONVENTIONAL or REFINING or CHEM U U
{ CTEMP(utemp) = value, TTEMP(utemp) = value,

BTEMP(utemp) = value, RTEMP(utemp) = value,}
RRATIO = 3.0 or REFLUX = value
ESTIMATE MODEL= SIMPLE U U (for LLEX)
User-supplied Profile Estimates (optional)

{TEMPERATURE(utemp) segno, value/...,}
{VAPOR( M or WT or LV or GV ) segno, value /...,} (not for LLEX)
U U
®
(for IO, Enhanced IO, RATEFRAC ) P P
{LIQUID(M or WT or LV ) segno, value /...}

U U
{CESTIMATE( L or V ) segno, x1, x2, ... /...}

U U B B B B
(for CHEMDIST and SURE)

{LIQUID( L or L1 or L2, M or LV or WT ) segno, value/...,}
U U U U
{CESTIMATE( L or L1 or L2 or V ) segno, x1, x2,... /...}

U U B B B B
(for LLEX)
{LIQUID( L1 or L2, M or LV or WT ) segno, value /...,}
U U
{CESTIMATE( L1 or L2 ) segno, x1, x2,... /...} B B B B
(for Enhanced IO)

{FREEWATER segno, value/...}
Performance Specifications (usually required)

Specifying a product stream property:
SPEC({CHANGE}) STREAM = sid, <property 1>, PHASE = T or L or V, U U
WET or DRY, U U
{ <operator>, <reference>, <property 2>,}

VALUE=value, { ATOL=value or RTOL=value }
Specifying an internal stream property:

SPEC({CHANGE}) <property 1>, PHASE = L or V, TRAY = segno, U U
WET or DRY, U U

VALUE = value, { ATOL = value or RTOL = value }


Specifying a heater/cooler duty:
SPEC({CHANGE}) DUTY(idno, uduty),
{<operator>, <reference>, <property 2>,}
Specifying reflux or reflux ratio:

®
SPEC({CHANGE}) (for SURE, IO, ENHANCED IO,and RATEFRAC ) P P
REFLUX(M or WT or LV or GV),
U U
or RRATIO(M or W or LV or GV)
U U
(for CHEMDIST)
REFLUX(M or WT or LV or GV),
U U
or RRATIO(M or W or LV or GV),
U U
PHASE = L or L1 or L2 U U

Specification Variables (one for each SPECIFICATION

statement)
VARY DUTY = idno,..., DNAME = name,..., DRAW = sid,...,
FEED = sid,...
(HEAT is an alternate name for DUTY).
TBP Cutpoint Specification (optional - available with IO only)

SPEC STREAM = sid, CUTPOINT(utemp), REFSTRM = sid,
VALUE = value
PORDER sid,...
Tray Efficiencies (optional)

TEFF(MURPHREE or EQUILIBRIUM or VAPORIZATION) segno, value / ...
CEFF(MURPHREE or EQUILIBRIUM or VAPORIZATION) segno, i, value / ...
EFACTOR value
Performing Homotopy Analysis (optional)

HOMOTOPY SPECIFICATION = specno, INITIAL = value, ITERATIONS = 10,
U U
HVARYFLAG ={ 0,1}

Print Options (optional - ignored in sidestrippers)
PRINT ITER=NONE or PARTIAL or ESTIMATE or ALL U U
PROPTABLES = BRIEF or PART or ALL, U U
{ RECOVERY,} { TEFF,} { TLOAD,} { DIAGRAM,}

{ PROFILE=NONE or ESTIMATE or ALL or FINAL}
U U
{ COMPOSITIONS=M and/or WT,}

{ XYDATA, KVALUE,} {KEYL = i, j, KEYH = k, l,}
{ SUMMARY = WT or GV or LV }
RATEFRAC® Software Print Options (optional, in addition to

P P
PRINT statement)
RFPRINT { RFIEG = value, RFCALC = value, SPLITFRAC = NO or YES, U U
BULK = NO or YES, HETP = NO or YES, BUBB = NO or YES,

U U U U U U
DEW = NO or YES, INTERFACE = NO or YES,

U U U U
DPFLOOD = NO or YES, HTRATE = NO or YES, U U U U
MTRATE = NO or YES, DCOEF = NO or YES,

U U U U
HTCOEF = NO or YES, MTCOEF = NO or YES

U U U U
Plotting Results (optional)

PLOT { PROFILE,} { XCOMP = i, j / k, l /...,} {YCOMP =m, n / o, p /...,}
{ LOG,} { SFACTOR }
Defining Column Parameters (optional - Section 10.5)

DEFINE <property> AS <reference 1>, <property 1>,
{ <operator>, value or <reference 2>, <property 2>}


Flash Zone Calculations (optional - Section 12.2)
Flash zone calculations are available for the IO method only.
FZONE TRAY = segno, TLDT(utemp),
{ HEATEREFF =0.85,} LBYPASSFRAC = 0.99, U U
VBYPASSFRAC = 0.99
U U
Hydraulics Calculations (optional - refer to Section 12.7)

Tray Sizing and Rating (optional)
TSIZE { SECTION(idno) = segno1, segno2,} B B B B
{ VALVE or SIEVE or CAP, DMIN(inch)=15,

U U
SPACING(TRAY, inch) = 24.0, BASESEG = segno1 } U UB UB
or
TRATE { SECTION(idno) = segno1, segno2,} B B B B
{V1 or V4 or VALVE or SIEVE or CAP, }

U U
DIAMETER(TRAY, uflen)=value,
SPACING( TRAY or CAP, inch) = 24.0,
U U
and (for both TSIZE and TRATE, all the following are optional.)
{ DIAMETER(VALVE or SIEVEHOLE or CAP, uflen) = value,
PASSES = 1, SFACTOR = 1.0, FFACTOR = 100.0,
THICKNESS(DECK, GAUGE or uflen) = 14, U U
THICKNESS(VALVE, GAUGE or uflen) = 16, U U
NUMBER(VALVES or CAPS) = value,

HOLEAREA(upct) = 12.0, MATERIAL(VALVE) = SS,
DCC(uflen) = value, DCW(uflen) = value1,...,value8,} B B B B
{ USID = text*72, } CASE = text*72 }

®
{ DPCALC = 1.0 1} P P (not supported by RATEFRAC Software) P P
1
P P DPCALC is required to access tray hydraulic results (e.g.,
downcomer backup) from a controller or other unit operation.
®
(additionally, the following are available for RATEFRAC Software only) P P
{ BASESEGMENT = segno, TRAYSPERSEGMENT = 1 (or 2), U U
LIQMIX = COMP, LINEAR, LOG, VAPMIX = COMP, LINEAR, LOG,

U U U U
DCRESTIME(utime) = value (Downcomer Residence Time)

ACTAREA(uarea) = value (Active Area on a segment)
WEIRHEIGHT(uflen) = value, WLEN(uleng) = value,
DCAREA(uarea) = value, (Downcomer Area)
ESTDIAM(uflen) = value, VAPVOLPCT(upct) = value,}


Random Packing (not for RATEFRAC® Software) P P
PACKING SECTION(idno) = segno1, segno2, B B B B
TYPE = itype, (itype = 1 to 18)

SIZE(uflen) = value, { FACTOR(FT or M) = value ,}
{ HEIGHT(uleng) = value or HETP(uleng) = value
or HMETHOD=FRANK or NORTON, U U
DPMETHOD = NORTON or TSAI or PNORTON,

{ DPSECTION(upres, uleng) = value
or DPPACK(upres, uleng) = value,
or DIAMETER(uflen) = value,}
FLMETHOD or { FLOOD(uvelo) = value, DESIGN(uvelo) = value, }
U U
FLAPPROACH=0.5
or
CSMETHOD, { CSMAX(uvelo) = value, CSDESIGN(uvelo) = value,
CSAPPROACH = 0.88 }
USID = text*72, CASE = text*72 }
®
Structured Packing (not for RATEFRAC Software ) P P
SULZER = itype, ( itype = 1 to 27, see list )

{ HEIGHT(uleng) = value or HETP(uleng) = value,}
{ DIAMETER(uflen)=value or CAPACITY=value } (>0.0 to 100.0)
{ SPAREA(uarea) = value,}
{ USID = text*72, CASE = text*72 }
®
RATEFRAC P P Random Packing
PACKING SECTION(idno) = segno1, segno2, TYPE = itype, SIZE(uflen) = value,
B B B B
HEIGHT(uleng) = value
DIAMETER(uflen) = value,
or { ESTDIA(uflen) = value and FLAPPROACH = 0.5,
BASESEG = segno1 } U UB UB
{ FACTOR(FT or M) = value,}
SPAREA(FT or M) = value,
VOIDFRACTION(ufrac) = value,
LIQMIXING = COMPLETE or LINEAR or LOG,
U U
VAPMIXING = COMPLETE or LINEAR or LOG,

U U
CSURFACETENSION(usurf) = value,

RATEFRAC® Structured Packing
P P
FLEX = type,
or INTALOX = type,
or KGWIREGAUZE = type,
or { ESTDIA(uflen) = value and FLAPPROACH = value,
U U

U U
TOLERANCE EQUILBRIUM=0.001, ENTHALPY=0.001,
COMP = 0.001 (for SURE and CHEMDIST)
®
KVALUE = 0.001 (for IO and RATEFRAC ) P P

METHOD SET = setid, segno /...
VLLECHECK CHECK = ON or OFF, (for CHEMDIST)

TRAYS = value, SET=setid
®
RFVLLECHECK SEGMENTS = segno1, segno2 / …, SET=setid B B B B (RATEFRAC )
P P
Active Area:
The area allowed for the passage of vapour on each tray is called the active tray area.


General Information
Table 12.1-1 lists the six rigorous distillation algorithms available in PRO/II. The column
titled “Recommended Uses” is only a loose guide to suitable applications for each model.
All algorithms solve to the same solution, within tolerance, when converged.
Table 12.1-1
Distillation Algorithms
Section Algorithm Recommended Uses
Conventional distillation, main fractionators, absorbers,
strippers, etc. Handles VLE problems and hydrocarbon/water
12.2 IO problems (provided free water exists only on tray 1). Try this
model first, even for non-ideal applications. Significantly
faster convergence than SURE or CHEMDIST.
Same as IO, but generally slower. Additionally, SURE solves
12.3 SURE problems with free water on multiple trays, such as an
ethylene quench tower.
Well-suited to solve non-ideal and VLLE type problems. It
12.4 CHEMDIST
supports reactions on stages.
Same as IO, plus allows total draws, total pump-around, and
12.6 Enhanced IO
water decant from any tray.
12.9 LLEX Liquid-liquid extraction (without a vapor phase)
Rate-based (as opposed to equilibrium based) algorithm.
®
12.10 RATEFRAC P P
Used when non idealities result in departure from equilibrium
solution.
Conventions
Stage numbers
Column stage numbers start at the top stage, and proceed down through the column.
®
The RATEFRAC algorithm uses segments instead of trays, but their numbering
P P
also is downward from the top. If there is a condenser, it occupies stage “1”, the
top-most stage. If a reboiler is present, it occupies the bottom-most stage. Refer to
Figure 12.1-1.
®

Theoretical Stages
A theoretical stage refers to a block of equations describing a section of the tower.
Typically, a theoretical stage corresponds to a tray. However, all the algorithms model
a condenser system (condenser and accumulator) as a theoretical stage. Similarly, the
algorithms that allow a thermosiphon reboiler (as in the IO algorithm) model it as a
collection of theoretical stages. The model for a stage having a heater is a single
theoretical stage that includes the heater duty in its energy balance equation.
Segments in Rate-Based Models

®
A segment in RATEFRAC routines may represent either an equilibrium or a non-
P P
equilibrium stage. A segment also may represent a sub-division in a packed section.

For a packed tower, increasing the number of segments does not increase the amount
of separation. Choosing a segment height close to the HETP value is usually a good
starting point.
Figure 12.1-1 Column Configuration
Condenser
The model for a condenser is a single theoretical stage with an associated cooler. This
is true even for a condenser that sub-cools the fluid (so that no fractionation occurs). It
always is the top-most stage in the column (stage 1).

Reboiler
The model for a kettle reboiler normally is a single theoretical stage, with an associated
heater, located on the bottom stage of the column. Alternatively, the model for a
thermosiphon type reboiler includes a pumparound coming from and returning to the
bottom stage. The IO algorithm is the only column model that rigorously models a
thermosiphon reboiler (with or without baffles). For more information, refer to the
discussion of the REBOILER statement later in this section..
Side heater/coolers
T
A side heater is a heat source and a side cooler is a heat sink. They always are placed
on the stage where they add or remove heat. A pumparound allows a side heater or
cooler only on the return stage. The DUTY statement associates each heater or cooler
with a particular stage. The duty of a heater or cooler on the return tray of a
pumparound must appear on a DUTY statement.
Water-hydrocarbon systems
The IO and SURE algorithms automatically predict excess free water at the condenser
(or at tray 1 when no condenser is present). They decant any free water that is present.
To suppress the decantation, use the FREEWATER option on the PARAMETER
statement of the SURE algorithm. In this case, the excess free water refluxes back into
the column. Subsequently, it may be withdrawn at water trap trays, or out with the
bottom. Only the SURE algorithm supports the FREEWATER option, since it is only
column model that permits free water to exist on any tray.
Input Description
The remainder of this section discusses general input data that applies to more than one
column model. Subsequent sections of chapter 12 present specific information about
individual algorithms.

COLUMN UID=uid, {NAME=text}
or SIDESTRIPPER UID=uid, {NAME=text}
or SIDERECTIFIER UID=uid, {NAME=text}
Use the COLUMN statement to identify a stand-alone column, or the main column of a
fractionator with sidestrippers or siderectifiers. Use the SIDESTRIPPER/RECTIFIER
statement to identify a stripper/rectifier column that is attached directly to a main column
through its feeds and products. The UID and NAME keywords are common to all unit
operation headers. Refer to Section 10.2 for more information about those entries.
SIDESTRIPPER and SIDERECTIFIER appear to PRO/II as the same keyword

(SIDE). PRO/II distinguishes between the two by flowsheet topology.

PARAMETER
IO = 15,
U U ERRINC = 1.0, (Inside-out algorithm)
DAMP = 1.0, TRAY = value (Conventional)
or
SURE = 10, STOP = 5, CAVE=0, (SURE algorithm)
TRAY= value , KEY = i, { FREEWATER }
or
CHEMDIST = 20, DAMP=1.0, (CHEMDIST algorithm)
or
ENHANCEDIO = 15, ERRINC = 1.0, (Enhanced IO algorithm)
TRAY = value, { FREEWATER }
DAMP = 1.0, (Conventional)
or DAMP = 0.8 (Heavy ends)
or
RATEFRAC=30, (RATEFRACR algorithm)
P P
SEGMENTS=value, DAMP=1.0
or
LLEX = 30, DAMP=1.0, (LLEX algorithm)
The PARAMETER statement declares the number of trays (or segments) in the column,
the solution algorithm, and a number of parameters relating to the solution algorithm
chosen.
TRAY This required entry specifies the number of distillation stages in the
column. This includes the condenser and reboiler (if present). All
column algorithms require at least one stage, but impose no limit
on the maximum number of stages. The column equilibrium models
in PRO/II require the number of theoretical stages. However, if the
user supplies efficiency values, the actual number of trays is
®
expected. The non-equilibrium RATEFRAC model always
P P
expects the actual number of stages.

IO or
ENHANCEDIO or Choose one of these algorithms for solving the column. Supplying
SURE or a value for the optional integer argument specifies the maximum
CHEMDIST or number of convergence iterations. For example, RATEFRAC=30.
®
RATEFRAC or P P
All the models have a default value for the maximum iterations.
LLEX
Refer to the following sections of chapter 12 for discussion of additional entries on the
PARAMETER statement.
IO Section 12.2
SURE Section 12.3
CHEMDIST Section 12.4
ENHANCED IO Section 12.6
LLEX Section 12.9
®
RATEFRAC Section 12.10
P P

Example: A column with 25 trays is to use the IO algorithm with a maximum of 12
iterations.
PARA IO=12, TRAYS=25
Column Feeds (required)

FEED sid, segno / ..., NOTSEPARATE or SEPARATE,
U U
USUPERCEDE=ON or OFF
U
This statement declares all feeds to the column. It also associates each feed with a
distillation stage. There is no limit on the allowed number of feed streams.
sid The feed stream identifier.

segno The feed tray number.
NOTSEPARATE The presence of either NOTSEPARATE or SEPARATE
determines how the feeds enter the stage. NOTSEPARATE
(the default) implies that both the liquid and vapor portions of
each feed are fed directly to the liquid portion of the
corresponding feed tray. NOTSEPARATE/ SEPARATE must
appear after the last "Sid, no" pair to take effect, else the default
NOTSEPARATE will be used. It applies to all feeds.
or The SEPARATE entry adiabatically flashes each feed into its
SEPARATE vapor and liquid phases. If both phases are present, the liquid
feed into the designated tray, but the vapor enters the tray
directly above. This option best simulates a typical feed nozzle
projecting into the vapor space so that the liquid portion of the
feed drops to the liquid below and the vapor portion mixes with
the vapor traveling to the tray above.
An all vapor feed goes onto the designated tray rather than the tray
above.
Example: Feed stream FD1 to stage 4, and FD2 to stage 7. Separate the
feeds so that the vapor of FD1 enters tray 3, and the vapor of FD2
enters tray 6.
FEED FD1, 4 / FD2, 7, SEPARATE
Selects the method used for resetting column initial

SUPERCEDE estimates from iteration to iteration.
ON This option uses the product rates calculated at the
last iteration. This is the default.
OFF This option uses the user-supplied initial estimates
in all iterations.

Column Products (required)
The PRODUCT statement is required and identifies all of the real products from the
column. The following definitions are for keywords common to all column algorithms.
Refer to the respective sections for features specific to IO, SURE or CHEMDIST.
PRODUCT OVHD(M or LV or WT, urate) = sid, value, (All algorithms)
U U
BTMS(M or LV or WT, urate) = sid, value,

U U
{ LDRAW(M or LV or WT, urate) = sid, segno, value /...,}

U U
{ VDRAW(M or LV or WT or GV, urate) = sid, segno, value /...,}

U U
or (Enhanced IO)
{ LDRAW(M or LV or WT, urate) = sid, segno, value, TOTAL /...,}
U U
{ VDRAW(M or LV or WT or GV, urate) = sid, segno, value, TOTAL /...,}

U U
or (SURE, or Enhanced IO, FREEWATER not active)

{ WATER(M or LV or WT, urate) = sid, 1, value
U U
or (SURE, or Enhanced IO, FREEWATER active)

{ WATER(M or LV or WT, urate) = sid, segno, value /...}
U U
and (SURE, VLLE active)

U U

U U
or (CHEMDIST, VLLE active)

U U

U U

U U

U U
{ OVHD(L1 or L2, M or LV or WT, urate) = sid, value } U U
(If used, OVHD(L1 or L2) replaces the normal OVHD entry. See Section 12.4.)
OVHD sid Identifies the overhead product stream. For PARTIAL and MIXED
condensers, or for columns without condensers, this stream is the
vapor phase product. For BUBB, TFIXED and DTBB condensers
with a single liquid phase (not including decanted free water), the
OVHD keyword identifies the overhead liquid product. For two
liquid phase condenser products, refer to Section 12.4,
CHEMDIST Algorithm, for special handling.
value An estimate of the overhead product in moles per time (default)
or liquid volume or weight per time. This rate is required if it is not
given on the BTMS keyword.

sid Identifies the bottom product stream.
BTMS
value An estimate of the bottom product in moles per time (default)
or liquid volume or weight per time. This rate is required if it is
not given on the OVHD keyword.
LDRAW, sid Identifies liquid or vapor side draws respectively. There is no limit
VDRAW to the number of draws permitted for all stages.
segno The draw tray number.
value The actual side draw rate unless the draw is declared as a variable
on the VARY statement, in which case “value” is an estimate of
the side draw rate.
Variable streams allow specifying the rate on a molar

(default),standard liquid volume, or weight per unit time basis (and
on a gas volume basis for vapor side draws). For fixed streams,
the IO algorithm supports rates in either molar or weight units.
However, all other algorithms require the fixed stream rates on a
molar basis, since the stream weight-rate is a function of the
composition of the draw stream, which is unknown.
TOTAL This is a total draw and value is an estimate for draw rate. Allowed
only for Enhanced IO.
WATER sid Identifies decanted free-water streams. This keyword is valid only
for IO and SURE columns.
segno The draw tray number, normally tray “1”. SURE and Enhanced
IO columns (with FREEWATER active) allow water decant on all
trays.
value The estimated water draw rate in moles per time (default) or liquid
volume or weight per time.
Example: Stream OV and BT are the overheads and bottoms respectively, in an IO

column. Stream LD1 and LD2 are liquid side draws from trays 4 and 6
respectively. The condenser decants water as stream H2O. The given
flow rates are estimates for the OVHD and WATER rate, but are actual
values (on a weight basis) for the LDRAW rates (unless varied on a VARY
statement).

PROD OVHD= OV, 121, BTMS=BT, &
LDRAW(WT)= LD1,4,100 / LD2,6,120, WATER= H2O, 1, 120
A similar CHEMDIST column would require the following additional two lines:
SPEC STREAM= LD1 RATE(WT) VALUE= 100.0
VARY DRAW= LD1

PA(V or L) = sid, segno1, segno2 /...,
B B B B
TSFEED=sid, TSLIQUID=sid, TSVAPOR=sid } (IO only)

The TFLOW statement allows the creation of pseudo streams equivalent to the internal
column flows. These streams may be input to other PRO/II unit operations as desired;
however, care must be used not to destroy the problem overall mass balance. Any
number of TFLOW streams may be created.
NET The net vapor or liquid flow from one tray to the next. For example,
NET(L) specifies the pseudo stream to be the liquid leaving tray
“segno”, not including product or pumparound draws.
TOTAL The total vapor or liquid flow leaving a tray, including product and
pumparound draws.
PA The liquid or vapor draw to a pumparound. segno1 is the draw tray
B B
number, and segno2 is the return tray.

B B
TSFEED, Internal thermosiphon reboiler streams are available with the IO and
TSLIQUID, Enhanced IO algorithms only. See Section 12.2, IO Algorithm and
TSVAPOR Section 12.6, Enhanced IO Algorithm.
Example: Set pseudo stream 21 equivalent to the net liquid flow from tray 3. Set
pseudo stream 22 equivalent to the pumparound draw from tray 5 (returning
eventually to tray 4). Set pseudo stream 23 equivalent to the thermosiphon
reboiler feed.
TFLOW NET(L)=21,3, PA(L)=22,5,4, TSFEED=23
Condenser Type (optional - not allowed in IO sidestrippers)

CONDENSER TYPE = PART or MIXED or BUBB
{ PRES(upres)=value, TESTIMATE(utemp) = value,}
or
TYPE = TFIX, TEMPERATURE(utemp) = value,
{ PRES(upres)=value,
or
TYPE = DTBB, DT(utemp) = value,
{ PRES(upres)=value }

The purpose of the CONDENSER statement is to define the condenser type. Omit this
statement for columns with no condenser. Columns with condensers must have a
heater/cooler defined for tray 1 (using a DUTY statement).
TYPE Defines the condenser type. PRO/II supports five different condenser
types as illustrated in Figure 12.1-2.
PRES Defines the condenser (tray 1) pressure. This is equivalent to setting
the pressure for tray 1 on the PRESSURE statement.
TEMP Defines the condenser temperature for a TFIX condenser.
DT Defines the condenser temperature for a DTBB condenser. The
resulting temperature will be below the bubble point temperature by
that number of degrees.
TESTIMATE Estimates the temperature for equilibrium condensers (PART, MIXED
or BUBB). This optional entry is very rarely required when an initial
estimate generator is used. It is equivalent to setting the temperature
for tray 1 on the TEMPERATURE statement.
The following discussion assumes there is only one-liquid phase in the condenser, or that
the second liquid phase consists of decantable free-water. For two-liquid phase
condensers, refer to Section 12.3 for a discussion of the SURE algorithm, or Section 12.4
for the CHEMDIST algorithm.
A PARTIAL condenser does not completely condense all the fluid to a liquid state. Some
vapor overhead remains uncondensed, is drawn off. All the liquid goes back into the
column as reflux to the first tray below the condenser. Refer to Figure 12.1-2.
The MIXED condenser type operates in the same manner as the PARTIAL condenser, but
also allows a separate draw of some of the condensed liquid. The remaining liquid goes
back into the column as reflux to the first tray below the condenser. See Figure 12.1-2.
The BUBBLE, TFIXED, and DTBB condensers cool all the fluid to a liquid state. They all
allow drawing off part of the liquid. Remaining liquid is refluxed back to the column. The
BUBBLE condenser cools the fluid to the bubble point temperature. The TFIXED
condenser cools the liquid to a specified temperature below the bubble point. The DTBB
condenser cools the liquid to a specified amount of sub-cooling (i.e., DT).

Figure 12.1-2: Condenser Types
Example: The condenser is at bubble point at a pressure of 200 kPa.
CONDENSER TYPE=BUBB, PRES(KPA)=200

DUTY idno, segno, value {, name} / ...
The DUTY statement specifies the duties for all side heaters, side coolers, condensers,
reboilers, and pumparounds. An unlimited number of duties may be defined, and multiple
duties may be supplied on a single statement.
Earlier versions of PRO/II and PROCESS used a HEAT statement. HEAT and DUTY are
synonymous. DUTY is preferred to maintain consistency with other PRO/II keyword
conventions.
idno Heater/cooler DUTY identification number. The idno is an integer that

permits the user to identify the duty elsewhere in the input file. Although
the ID numbers do not need to appear in consecutive order, all the
numbers from 1 to nd must be used. (nd is the total number of duties.)
segno The stage on which the heater/cooler DUTY exists. Table 12.1-2 shows
the stage number for some special cases. Pumparound duties directly
affect the equilibrium conditions of the return stage, so each segno must
represent the return tray.

Table 12.1-2: Heater Tray Numbers
Condenser 1
Reboiler n (last tray)
Pumparounds tno2 (return tray)
B B
value The duty in millions of energy per time units. A negative value indicates a
cooling duty. The supplied value is constant unless another input structure
redefines it. A duty may be redefined by:
- a specification variable on VARY statement.
- a pumparound on a PA statement.
- an attached heat exchanger.
name Heater/Cooler name. The name is a twelve character string that permits
the user to identify the heater/cooler elsewhere in the input file.
Example: A column has a condenser placed on tray 1, a heater on tray 10, and a
reboiler on tray 21. The condenser and reboiler duties are variables on VARY
statements These duties do not require estimated values. The side heater has a
fixed value of 6.0 million energy/time units.
DUTY 1, 1 / 2, 10, 6.0 / 3, 21
VARY DUTY = 1, 3
Reboiler (optional)
REBOILER TYPE=KETTLE or THERMOSIPHON,
U U
BAFFLE=NO or YES,
{RATE(M or WT or LV)=value
U U or
LFRAC(M or WT or LV)=value or
U U
VFRAC(M or WT or LV)=value or
U U
TEMP(utemp)=value or DT(utemp)=value,}
{LFEST=value, VFEST=value, RTEST=value}
The REBOILER statement declares the reboiler type, including thermosiphon reboilers
with or without baffles, and kettle reboilers. Each column allows only one reboiler. The
reboiler requires a heater (defined by a DUTY statement) on the bottom stage of the
column. The REBOILER does not allow a pumparound to or from the reboiler stage.
TYPE Defines the reboiler type. PRO/II supports two reboiler types:
KETTLE (a once-through thermosiphon). This is the default type.
THERMOSIPHON Only the IO and Enhanced IO algorithms allow this
type of reboiler. Not allowed by merged columns
and sidestrippers.

Figure 12.1-3: Thermosiphon Reboiler, BAFFLE=NO
BAFFLE Defines the presence or absence of a bottoms baffle.

Choose BAFFLE = NO to model a reboiler without a bottoms baffle. This
is the default. The reboiler return liquid flows (up) to the bottoms sump,
where vapor separates and moves up the column. Due to the separation
of the vapor in the bottoms sump, the composition of the bottoms
product is different from the composition of the reboiler sump liquid. One
name for this model is “preferential thermosiphon”. Refer to Figure 12.1-
3.
Select YES to include a baffle that effectively divides the bottom tray of
the column into the bottoms sump and the reboiler sump (stage N-1).
The bottoms sump and reboiler sump are side by side, with the level of
liquid in the reboiler sump slightly lower. Liquid down-flow from the tray
above feeds both sumps. After the bottoms sump fills, some liquid spills
over the baffle into the reboiler sump. For all practical purposes, the
pressure at the surface of both sumps is the same, even though there is
a small static head difference. The vapor leaving both sumps is
practically zero, so the bottoms product is identical to the reboiler liquid
phase product, RL. This type is a “circulating thermosiphon”. Refer to
Figure 12.1-4.
RF, RL, and RV are the reboiler feed, liquid flow, and vapor flow,
respectively. Both cases adiabatically flash the reboiler return fluid at

the reboiler exit nozzle using sump pressure.
Figure 12.1-4. Thermosiphon Reboiler, BAFFLE=YES

Note 1: A thermosiphon reboiler counts as two theoretical stages; one for the reboiler
return, the other for the bottom sump (bottoms product stage). See Figure 12.1-4.
Note 2: This manual makes a distinction between the words “stage” and “tray”. The
model of the reboiler return stage is a non-adiabatic flash of stream Rf, not as a tray.
B B
The heat input is simply the reboiler duty. By analogy, the model for the reboiler sump
stage is a mixer followed by an adiabatic flash. The mixer combines the spill-over from
the bottoms sump, Lo, with the liquid down-flow from the tray above. The flash accounts
B B
for any changes in equilibrium due to the mixing of two streams at potentially different
temperatures and compositions. For the baffled case, the reboiler sump does not count
as an additional theoretical stage.
RATE The recirculation rate of the thermosiphon reboiler on a mole (M-default),

weight (WT), or standard liquid volume (LV) basis.
LFRAC The liquid fraction of the return stream from the thermosiphon reboiler.
Users may supply this value on a mole (M-default), weight (WT), or
standard liquid volume (LV) basis. The liquid fraction defaults to 0.5
when this keyword is present with no supplied argument value.
VFRAC The vapor fraction of the return stream from the thermosiphon reboiler.
Users may supply this value on a mole (M-default), weight (WT),
standard liquid volume (LV), or standard vapor volume (GV) basis.
TEMP The reboiler temperature.

DT The increase in temperature in the thermosiphon reboiler.
LFEST The estimate of the reboiler liquid product to reboiler feed ratio on a mole
(M-default), weight (WT), or standard liquid volume (LV) basis.
VFEST The estimate of the reboiler vapor product to reboiler feed ratio on a
mole (M-default), weight (WT), standard liquid volume (LV), or standard
vapor volume (GV) basis.
RTEST The estimate of the molar feed flow rate to the reboiler.

or
QCOL(uduty) = value or QTRAY(uduty) = value
(Duty value is in millions of energy/time units.)
Use a QSPEC or QCOLUMN statement to define column heat losses or gains on each
tray or segment. The purpose of this feature is to simulate heat leakage (in or out)
between the column and the ambient surroundings. An example is the leakage that
occurs at an air fractionation plant. This differs from the DUTY statement in two
important ways.
First, the heat transfer specified on the QSPEC or QCOLUMN statements covers a
range of stages.
Second, the column algorithm may vary heat transfer values on DUTY statements
using VARY statements. QSPEC and QCOLUMN data remain constant, since
VARY statements do not allow them.
QSPEC The heat loss (negative), or heat gain (positive) for each individual tray.
The loss/gain must be given for the top and bottom trays. The individual
loss/gain for trays not defined are determined by linear interpolation
using the data given for the nearest tray above and below the tray in
question. Thus, the minimum data necessary is the duty for the top and
bottom tray.
QCOND The heat loss/gain for the condenser (tray 1).
QREBO The heat loss/gain for the reboiler (tray N).
QCOL This is the total heat loss/gain for the column (excluding the condenser
and reboiler if their respective heat loss/gain is specified). The heat
loss/gain for each tray is computed as (QCOL/NTRAYS), where
NTRAYS is the number of trays in the column, excluding the condenser
and reboiler if QCOND and QREBO are specified.
QTRAY The heat loss/gain for each tray.

Pumparounds and Bypasses (optional)
Not available with CHEMDIST. Requires at least one of RATE, LFRAC, TEMP, DT, or (for
SURE algorithm) TOTAL.
PA FROM = tno1, TO = tno2,
B B B B
{ PRES(upres) = value, PHASE = L or V,}U U
and
U U
®
or TOTAL (SURE, Enhanced IO, and RATEFRAC ) P P
and/or
®
LFRAC(M or WT or LV) = value
U U (not available for RATEFRAC ) P P
or TEMP(utemp) = value or DT(utemp) = value

Each PA statement defines one column pumparound or bypass. An unlimited number of
pumparounds may be used. The pumparound may or may not be associated with a
heater/cooler. If there is a heater/cooler, it must be placed on the pumparound return tray
and be defined on the DUTY statement. The pumparound may not be associated with a
defined REBOILER.
FROM The source tray for the pumparound.

TO The return tray for the pumparound.
PHASE Identifies the pumparound draw as coming from the liquid (L - default) or
vapor (V) phase.
PRES The pressure of the return stream.
RATE The rate of the pumparound stream.
LFRAC The liquid fraction on a mole (M - default), weight (WT), or standard liquid
volume (LV) basis.
TEMP Defines the return stream temperature. TEMP is the return stream
or temperature. A positive value of DT represents a temperature drop. A
DT negative value of DT represents a temperature gain.
TOTAL ®
Available for the SURE, Enhanced IO and RATEFRAC algorithms only.
P P
When the TOTAL keyword is present, the total tray liquid or vapor is
pumped around. Total liquid PA’s may only pump down the column. Total
vapor PA's may only go up the column.
Example: A pumparound has a standard liquid rate of 5000 barrels per hour. It flows
from tray 8 to tray 6. The column should calculate the cooling duty needed to
satisfy the process requirements.
PA FROM=8, TO=6, RATE(BBL/HR)=5000
DUTY ... / 3, 6 /...
VARY DUTY= 3, ...

Tray Pressure (required)

or
DPCOL(upres) = 0.0 or DPTRAY(upres) = value
Use either a PRESSURE or a PSPEC statement to define the column pressure profile.
The column algorithms usually do not vary these pressures. Users may change them
by using features external to the column. These include CASESTUDIES,
INTERACTIVE features, and CONTROLLER, MVC, and OPTIMIZER unit operations.
PRESSURE Use this statement to enter pressures for individual trays or
stages in a packed section. The top and bottom trays require
supplied pressures. As an alternative, specify the condenser
pressure (on tray 1) using a CONDENSER statement. Entering
data for other trays is optional. The column determines the
pressures of omitted trays by linear interpolation, using data
given for the nearest trays above and below. Minimum required
data are the pressures for trays 1 and N, where N is the bottom
tray or reboiler.
For a thermosiphon reboiler, the reboiler return-stage pressure (if
not explicitly input) defaults to the pressure of the bottoms sump
(bottoms product stage). Note that the actual bottoms product
stream pressure will be at a higher pressure due to the static
head of liquid in the sump. This pressure causes the true
bottoms product stream to be sub-cooled.
segno The segment number (a tray, or stage of a packed section).
value This is the pressure assigned to the segment.
PSPEC The top pressure and either DPCOL or DPTRAY. PRO/II fills in
the pressure profile linearly, so the pressure drop is the same on
all trays.
PTOP The pressure at the top of the column. For columns with a
condenser, PTOP is the tray 2 pressure if the CONDENSER
statement defines the condenser pressure (tray 1).
or
DPCOL The pressure drop across the column. If a REBOILER statement
declares a thermosiphon reboiler, this entry sets the pressure
drop for the column so the pressure difference between stage 1
and the bottoms product stage (stage N-1) is equal to the
DPCOL entry.
or
DPTRAY The pressure drop per tray throughout the column. DP is an
alias for this keyword.

Example: The condenser has a pressure of 200 kPa, the top of the column has a
pressure of 230 kPa, and the bottom (at tray 20) has a pressure of 280Pa.
The following sample code shows three ways to specify this profile.
PRESSURE(KPA) 1, 200 / 2, 230 / 20, 280
or
PSPEC PTOP(KPA) = 230, DPCOL(KPA) = 5 0
COND ..., PRES(KPA) = 200
or
PSPEC PTOP(KPA) = 230, DPTRAY(KPA) = 2.777778
COND ..., PRES(KPA) = 200
Several of the column algorithms are able to modify the pressure profile during their
convergence calculations. To do this, the simulation must satisfy these conditions:
The column performs tray sizing or tray rating calculations.
At least one TSIZE or TRATE statement includes the DPCALC keyword.
See Section 12.7 - Column Hydraulics for more information.

ESTIMATE MODEL = SIMPLE or CONVENTIONAL or REFINING or CHEM
U U

RRATIO = 3.0 or REFLUX = value
or
ESTIMATE MODEL= SIMPLE U U (for LLEX)
Columns require temperature estimates and either vapor or liquid molar flow rate
estimates to initiate the iterative calculations. The built-in Initial Estimate Generator can
calculate these data. Alternatively, the user may supply the estimates as input data.
The IEG does not change temperatures supplied on the TEMPERATURE

statement. The IEG will change CTEMP, TTEMP etc., supplied on the ESTIMATE
statement.
MODEL Specifies the method for estimating initial temperature and vapor profiles.
SIMPLE Calculates vapor rates from simple mass balance. Estimating
the product compositions and determining the bubble points or
dew points, as appropriate, determines the temperatures.
CONV Uses the Fenske shortcut model for conventional columns.
Performs flashes for absorbers / strippers. This is the
recommended method for most distillation problems.
REFIN Uses the Fenske shortcut model for multi-product separations
normally found in refinery heavy-ends units.

CHEM Uses a multi-flash technique to bring the profiles closer to the
final solution before the column algorithm takes over. This is the
recommended method for difficult, highly non-ideal distillation
problems. The major drawback is that it is CPU intensive.
CTEMP The condenser temperature estimate.
TTEMP The top tray temperature estimate. This is tray 1 if the column does not
have a condenser. It is tray 2 if the column has a condenser.
BTEMP The bottom-tray temperature estimate. If the column has a reboiler or a
DUTY assigned to the last tray, then BTEMP is the estimate for the next-
to-last tray. Otherwise, BTEMP is the estimate for the last tray.
RTEMP The reboiler temperature estimate.
REFLUX The estimated reflux rate in moles per unit time, or the estimated reflux
or ratio. The default sets the liquid-to-distillate ratio to a value of 3.0.
RATIO
Example: Use the CHEM model with a reflux estimate of 1.0 to initialize the column
profiles.
ESTIMATE MODEL=CHEM, RRATIO=1.0

{TEMPERATURE(utemp) segno, value/...,}
{VAPOR( M or WT or LV or GV ) segno, value /...,}
U U
{LIQUID( L or L1 or L2, M or LV or WT ) segno, value/...,}

U U U U
{CESTIMATE( L or L1 or L2 or V ) segno, x1, x2,... /...}

U U B B B B
{FREEWATER segno, value/...}

The PRO/II column algorithms have approached the level of sophistication where
virtually no user-supplied initial estimates are required to achieve column solution.
There are two cases where providing column profiles could be beneficial:
Highly non-ideal systems may require a better starting point than is possible by
conventional initial estimate generators.
Once a model has converged, subsequent runs with only minor changes will require
less CPU time if given accurate temperature and vapor profiles. This may be a
worthwhile effort for large columns. PRO/II generates the keywords to input these
converged profiles when the input includes either:
DBASE DATA = PROFILE option in the General Data category, or
PRINT PROFILE = FINAL option in the Column Unit.
The PRO/II Graphical User Interface supports the PRINT PROFILE option
under the Column Convergence window.

TEMPERATURE(unit) segno, value /...,
This statement provides temperature estimates for individual trays (or stages in a
packed section). PRO/II linearly interpolates the initial temperature for trays not
estimated. When an ESTIMATE statement is used, the tray temperatures given on the
TEMPERATURE statement overwrite the estimated values only on the trays specified
on the TEMPERATURE statement.
segno The segment number (a tray, or stage of a packed section).

value This is the temperature estimate assigned to the segment.
Problems may arise when user estimates for temperature and for vapor or liquid
flows overwrite the IEG values. This is most apparent for restarts.
VAPOR(M or WT or LV or GV) segno, value/...,
U U
This optional statement provides estimates of the net vapor rate for individual trays (or
stages in a packed section). The estimate values should exclude vapor draws and
pumparounds. Qualifiers allow supplying rate estimates as moles (default), weight,
liquid volume, or gas volume per unit of time. PRO/II considers the vapor flow rate from
tray 1 to be the overhead rate, even if the overhead is liquid. PRO/II assumes constant
molar vapor flow rate for trays not estimated. Flows are adjusted for heater/cooler
duties, feeds and draws. When an ESTIMATE statement is present, the vapor flow rates
on the VAPOR statement overwrite the estimated values only on the trays supplied on
the VAPOR statement.
®
LIQUID(L, M or LV or WT) segno, value/...(for IO, Enhanced IO RATEFRAC )
U U U U P P
LIQUID(L or L1 or L2, M or LV or WT) segno, value/..., (CHEMDIST and SURE)

U U U U
The LIQUID statement provides estimates of the net liquid rate for individual trays (or
stages in packed sections). These net estimates exclude liquid draws and
pumparounds. Qualifiers M, WT, and LV allow rate estimates on a molar (default),
weight, or liquid volume per unit time basis. It is typical to supply either the VAPOR or
the LIQUID statement, not both. PRO/II determines the other by mass balance. When
also using an ESTIMATE statement, the liquid flow rates on the LIQUID statement
overwrite the estimated values only on the trays supplied by the LIQUID statement..
When two liquid phases are expected, PRO/II allows liquid profile estimates for each
phase (L1 and L2). However, it is generally recommended that the bulk (L) phase be
estimated instead. Note that if an estimate for phase L1 is given, an estimate for the L2
phase must also be given. PRO/II can then perform the liquid phase split. Note that two-
liquid-phase trays are supported by CHEMDIST and SURE only.
FREEWATER segno, value /..., (for Enhanced IO)

The user can estimate the ratio of free water on a given tray to water with hydrocarbon
phase. Use the FREEWATER statement to provide these estimates.
CESTIMATE(L or V) segno, x1, x2, ... /... (for IO and Enhanced IO)
U U B B B B
CESTIMATE(L or L1 or L2 or V) segno, x1, x2,... /... (CHEMDIST and SURE)

U U B B B B
The CESTI statement supplies composition estimates for individual trays (or stages in a
packed section). The purpose is to provide a closer starting point for column algorithms
for highly non-ideal and difficult to solve distillation problems. Very few problems require
this level of estimation to achieve solution.
xi
B B The mole fraction of component i on segment segno in the liquid phase (L) or
vapor phase(V). When two liquid phases are present, composition estimates
may be made either for the bulk liquid (L) or for both of the liquid sub phases
(L1 and L2).
Example: Estimate the vapor and temperature profiles in a column.
TEMP 1, 100 / 2, 140 / 15, 250/ 21, 330
VAPOR 2, 420 /15, 420 / 16,380 / 21, 450

SPEC({CHANGE}) <primary>, <property 1>, part 1 (required)
<operator>, part 2 (optional)
<reference>, <property 2>, part 3 (conditional)
VALUE=value, part 4 (required)
{<tolerance>} part 5 (optional)
A SPECIFICATION statement defines a single performance specification on a product,
an internal stream, a heater, or on some other operating parameter. Refer to Section
10.4 - Specifications for a discription of the format and options for this statement.
One additional feature - the CHANGE qualifier - is available in PRO/II distillation
columns.
CHANGE The presence of this qualifier designates that the column

ignores this specification until the user interactively activates it.
See Section 18.3 - Interactive Execution.
For purposes of reconciling the number of SPEC's and VARY's, especially in

merged columns, the IO algorithm processes the main column and all attached
sidestrippers and siderectifiers as a single input block.

Usage Guidelines
The column input processing ensures that the degrees of freedom in the column always
are balanced when the number of SPEC statements equals the number of variables
declared on VARY statements. Consider the basic PRO/II column with no SPEC or
VARY statements. In Table 12.1-3, attributes designated “fixed” are invariant
parameters defined through user input. PRO/II adjusts the values of attributes
designated by “vary” to satisfy the conditions imposed by the attributes that were “fixed”
by user input.
Table 12.1-3
Attributes of COLUMNS with
no SPEC or VARY statements
OVHD or BTMS rates vary
LDRAW or VDRAW rates fixed
LDRAW or VDRAW with TOTAL vary
DUTY duties fixed
FEED rates fixed
tray TEMP vary
tray PRES1 P P fixed
VAPOR rates vary
LIQUID rates vary
WATER rates vary
product property vary
tray vapor or liquid properties vary
1
P May not be varied internally
P
Each column attribute specified by a “SPEC” statement requires one of the “fixed”
attributes to vary. For example, consider a conventional column with two products, a
reboiler and a condenser. The user wants to specify the reflux ratio and overhead rate.
Notice in Table 12.1-3 that the LIQUID (reflux) rate and OVHD rate both “vary”.
Specifying them on “SPEC” statements “fixes” their values. As a consequence, too
many attributes now are “fixed”, and too few attributes can “vary”. The degrees of
freedom are out of balance.
To balance the available degrees of freedom, two “fixed” attributes must be allowed to
vary. Now note (from Table 12.1-3) that the condenser and reboiler duties initially were
“fixed”. Declaring them on a VARY statement allows them to “vary”, and balances the
degrees of freedom.
IO columns with sidestrippers balance the degrees of freedom across the entire system
of columns. Each column or sidestripper may have an unequal number of SPECs and
VARYs, but the sum of the SPECs and VARYs for the merged column system (main
fractionator and side columns solved simultaneously) must be equal.

Stage pressures normally do not “vary”. Only duties, draw rates, (for both
LDRAW and VDRAW) and FEED rates may “vary”. It is possible to modify these
restrictions in some instances. In columns that perform tray sizing or tray rating
calculations, specifying the DPCALC option allows varying the pressure profile during
convergence calculations. Refer to Section 12.7 – Column Hydraulics for further
information..

SPEC({CHANGE}) STREAM = sid, <property 1>, PHASE=T or L or V, U U
WET or DRY,
U U

Examples: Specify the product rate of stream OV at 5000 lb/hr.
SPEC STREAM=OV, RATE(LB/HR), VALUE=5000
Specify the product rate as a fraction of the sum of the feeds.
SPEC STREAM=OV, RATE(LB/HR), RATIO, REFFEED, VALUE=0.25
Specify the mass rate of stream OV components 1-3 equal to an amount calculated in
a CALCULATOR:
SPEC STREAM=OV, RATE(LB/HR), COMP=1,3, RATIO, CALC=CAL1, &
R(3), VALUE=1.0
Specify the average molecular weight of stream BT equal to 55.3.
SPEC STREAM=BT, MW, VALUE=53.3
Specify the ASTM D86 10% point at 126.2 F.
SPEC STREAM=1, D86(10, F), VALUE=126.2

SPEC({CHANGE}) <property 1>, PHASE = L or V, TRAY = segno,
U U
WET or DRY,
U U

Examples: Specify a flow rate for the liquid that leaves tray 4, as twice stream FD on
a mole (default) basis.
SPEC RATE, PHASE=L, TRAY=4, RATIO, STREAM=FD, VALUE=2.0
Specify a V/L ratio of 1.5 on tray 2.
SPEC RATE, PHASE=V, TRAY=2, RATIO, PHASE=L, VALUE= 1.5
Specify a temperature on tray 2.
SPEC TEMP, TRAY= 2, VALUE= 150.0

SPEC({CHANGE}) REFLUX(M or WT or LV or GV) or U U (for IO or SURE)
RRATIO(M or W or LV or GV),
U U
REFLUX(M or WT or LV or GV), or
U U (for CHEMDIST)
U U
PHASE=L or L1 or L2
U U

Examples: Specify a reflux ratio of 2.
SPEC RRATIO, VALUE= 2.0
Specify a reflux on a liquid volume basis as determined in CALCULATOR CAL1.
SPEC REFLUX(LV), RATIO, CALC= CAL1, R(1), VALUE=1.0

Example: Specify heater duty 2 as minus the value of FLASH drum F1. Note that
DUTY must be a variable on the VARY statement.
SPEC DUTY(2), RATIO, DUTY, FLASH= F1, VALUE= -1.0
VARY DUTY= 2

statement)
VARY DUTY=idno,..., DNAME = name,..., DRAW=sid,..., FEED=sid,...
Exactly one specification variable must be given for each SPECIFICATION statement in
the column (or column/sidestripper system with IO). They may all be given on the same
VARY statement.
DUTY Allows the duty of a heater (corresponding to “idno” on the DUTY

statement) to vary.
DNAME Allows the duty of a heater (corresponding to “name” on the DUTY
statement) to vary.
DRAW Allows the rate of draw stream “sid” (given as an LDRAW or
VDRAW on the PROD statement) to vary.
FEED Allows the mole rate of feed stream “sid” to vary without changing
the composition or thermal state.

Example: Vary heater duties 1 and 3 and draw stream DR1 in a column.
VARY DUTY= 1,3, DRAW= DR1
Tray Efficiencies (optional)

Vaporization efficiencies are available for the IO, Enhanced IO, LLEX, and CHEMDIST
algorithms. Additionally, the IO and Enhanced IO methods suooprt Murphree and
®
equilibrium efficiencies. RATEFRAC routines allows Vaporization and Murphree
P P
efficiencies, but only on equilibrium stages. Since rate-based (non-equilibrium)

segments represent actual stages, user-supplied efficiency values are meaningless for
them. The SURE and LLEX algorithms do not allow any efficiency input values..
TEFF( MURPHREE or EQUILIBRIUM or VAPORIZATION ) segno, value /...
CEFF( MURPHREE or EQUILIBRIUM or VAPORIZATION ) segno, i, value /...
EFACTOR value
The purpose of tray efficiency calculations is to reduce the fractionation effectiveness of
individual trays.
These tray efficiencies are not the same as overall efficiencies.

PRO/II supports three formulations for efficiency. The most common form is the Murphree
tray efficiency given by:
y i ,n − y i ,n +1
EiM,n = eq. 12.1-1
y i*,n − y i ,n +1
where: EiM,n Murphree tray efficiency for component i, tray n
yi ,n Vapor phase mole fraction for component i, tray n
y i*,n Equilibrium mole fraction of component on tray n over actual liquid

composition
The vaporization efficiency equation is:
K ieff,n
,n =
Eivap eq. 12.1-2
K ieq,n
where: Eivap
, n Vaporization efficiency for component i, tray n
K ieff,n The effective K-value for component i, tray n.
K ieq,n The equilibrium K-value based on liquid compositions for component i, tray
n

For LLEX columns, the vaporization efficiencies change the distribution between
the liquid phases.
The equilibrium efficiency equation is:
K ieff,n − 1
Eieq,n = eq. 12.1-3
K ieq,n − 1
where: K ieq,n Vaporization efficiency for component i, tray n
PRO/II allows the simultaneous use of both equilibrium and vaporization efficiencies. The
expression that governs this is:
(( ) )
K ieff,n = K ieq,n − 1.0 * Eieq,n + 1.0 * Eivap
,n eq. 12.1-4
Condenser and reboiler trays automatically have efficiencies equal to one regardless of
the value specified by the user. Murphree efficiencies can be greater than 1.0 for a
given component or group of components.
When the efficiency is not equal to 1.0, by definition, the affected phases are not in
phase equilibrium. This inclueds the vapor phase (Murphree efficiency) or vapor and
liquid phases (equilibrium and vaporization efficiencies). This often causes
inconsistencies in the output report.
• For columns without condensers, the overhead vapor is not at dew point.
Depending on what efficiencies are specified for which components, the overhead
may be superheated or in the two-phase region.
• A column with a condenser will cause the HCURVE unit operation to generate a
condensing curve that does not match the column operating conditions. This is
because HCURVE performs a series of equilibrium flash calculations to generate a
condensing curve, while the tray 2 vapor is not in equilibrium.
• Products from trays where the equilibrium or vaporization efficiency is not equal to
1.0 will not be at dew point or bubble point.
It is the responsibility of the user to account for these inconsistencies.
TEFF The efficiency, given as a fraction, for all components on tray segno.
The column interpolates supplied efficiency data to compute the
efficiency for all trays that are missing data. Trays not bracketed by
tno values have an efficiency of 1.0. Condensers and reboilers
always use an efficiency of 1.0.
MURPHREE Use Murphree tray efficiencies
EQUILIBRIUM Use equilibrium tray efficiencies
VAPORIZATION Use vaporization tray efficiencies.

CEFF The efficiency, given as a fraction, for component i on tray segno. The

column interpolates the efficiency for all trays not given. Trays not
bracketed by tno values have an efficiency of 1.0. Components not
given have an efficiency of 1.0. Condensers and reboilers always use
an efficiency of 1.0.
When both TEFF and CEFF are given, the TEFF values are set first. Then,
the CEFF values override the TEFF values on an individual basis.
EFACTOR This value scales all of the efficiencies uniformly, excluding the reboiler
and condenser trays. Note: if vaporization and equilibrium efficiencies
both are given, only equilibrium efficiencies are scaled. This feature is
most commonly used as a variable in a controller unit operation to
adjust column performance to match plant data.
Example: Set the Murphree Tray efficiency at 0.95 for all components from trays 2
through 9. Overwrite the efficiency for component 6 to be 0.7. Scale the
efficiencies by factor of 0.95.
TEFF(MURPHREE) 2,0.95/9,0.95
CEFF(MURPHREE) 2,6,0.7/9,6,0.7
EFACTOR 0.95

HOMOTOPY SPECIFICATION = specno, INITIAL = value,
ITERATIONS = 10, HVARYFLAG = {0, 1}
Homotopy analysis helps users solve specifications that pose convergence problems by
giving the user an option to solve the problem with an initial value for the specification,
and then automatically move to the desired final value in a set number of steps. The
homotopy option itself uses two entries, the initial value of the specification and the
number of increments in moving from the initial value to the final value. However, the
final value is entered as part of the specification (SPEC) and is not repeated for the
homotopy option.
For a flowsheet without recycle loops or controllers, a column uses homotopy when the
column executes for the first (and only) time. If the column is in a recycle loop, and the
recycle does not change the final set point of the specification, then the column uses
hmotopy the first time it executes. In subsequent passes, the column uses homotopy
only if the column did not converge to the user-specified final specification in the
previous pass. In this case, homotopy starts with the last set point, which the column
was attempting to solve.
When the column is in a control loop that varies the final value of the specification, then
if HVARYFLAG=0, the column solves for the latest specification value directly. If
HVARYFLAG=1, homotopy starts with the last set point the column solved for.
The homotopy option is available for all column algorithms. The only printout options
available are through the iteration history print level (PRINT ITER=...). It can be thought
of as an automated case study with limited print options.

SPECIFICATION This entry requires a positive integer specification number. The
specification number is based on the order of specifications
listed for the column of interest, starting at 1. For merged
columns, each column section requires its own homotopy
statement, and should refer to the internal SPEC number for
that section. There can be at most one homotopy statement for
each internal SPEC.
INITIAL This entry requires a real number for the initial value of the
SPEC variable, which is converged through homotopy.
ITERATIONS This entry requires a non-negative integer. This is the number of
homotopy iterations used to achieve the final value of the
SPEC.
HVARYFLAG The presence of this flag (HVARYFLAG or HVARYFLAG=1)
indicates that if the SPEC value stated on the corresponding
SPEC statement is altered by another unit operation (typically a
controller), then the homotopy iterations are carried out to
satisfy the altered SPEC as well. In this case, the INITIAL value
defaults to the last converged value. The number of
ITERATIONS is the same as specified earlier. The default value
for this flag is zero, which turns off the HVARYFLAG option.

PRINT ITER=NONE or PARTIAL or ESTIMATE or ALL
U U
PROPTABLES=BRIEF or PART or ALL,

U U
{RECOVERY,} {TEFF,} {TLOAD, DIAGRAM,}

{PROFILE=NONE or ESTIMATE or ALL or FINAL}
U U
{COMPOSITIONS=M and/or WT,}

{XYDATA, KVALUE,} {KEYL=i, j, KEYH=k, l,}
{SUMMARY=WT or GV or LV}
The PRINT statement selects the reports to include in the output. Note that, for the
®
RATEFRAC model only, the RFPRINT statement provides many additional print
P P
options.
ITER Selects the level of intermediate output. For most
COLUMNS, set ITER to NONE or PARTIAL which
generates the least amount of output. If the column does
not converge, use the ALL option to get additional data for
determining corrective action.
NONE Prints no intermediate results.
PART Prints a brief iteration report containing the error
sums. This is the default.
ESTI Prints profiles at the conclusion of the initial
estimate procedure and continues with the PART
iteration report.
ALL Prints profiles at the conclusion of each iteration.

PROPTABLES Selects the level of column property reports.
BRIEF Prints basic column profile report including vapor

and liquid flow rates, temperatures, pressures and
duties.
PART Includes all BRIEF output. Also reports molecular
weight, actual densities and volumetric flow rate.
ALL Includes all PART output. Also includes enthalpy
flows and standard densities.
RECOVERY Prints the percent recovery of each component in each
product.
TEFF Prints the tray efficiencies, and component-by-component
tray efficiencies (if input) that are used to solve the column.
TLOAD Prints a special tray-loading summary. Vapor and liquid
properties for a given tray print out on a single line. The
report requires transport property methods to be declared in
the Thermodynamic Data Category. The width of the report
is 132 columns.
DIAGRAM Prints a line printer diagram of the column profiles, including
tray-by-tray temperatures, pressures, and liquid and vapor
mole rates. The diagram also displays feed rates, product
rates, and heater/cooler duties at the tray location. The
width of the report is 132 columns.
PROFILE Generates a keyword-compatible output of temperatures,
pressures, tray flows, and compositions. These profiles can
be moved directly from the output file to the keyword input
file to provide initial estimates for subsequent runs.
NONE Generates no profiles. The default.
ESTI Generates profiles at the conclusion of the initial
estimate procedure.
ALL Generates profiles at the end of each iteration.
FINAL Generates profiles at the end of the last iteration.
COMPOSITIONS Selects a tray-by-tray composition report on any of the
following bases: mole (M), weight (WT), standard liquid
volume (LV), and standard gas volume (GV). Choosing
more than one basis generates additional reports of tray-by-
tray composition tables using all the selected bases.
SUMMARY This option always generates a summary report on a molar
basis. Specifying one of the arguments produces an
additional summary on a weight (WT), liquid volume (LV),
or gas volume (GV) basis.
XYDATA Writes composition data to separate ASCII transfer file. This
keyword has no impact on the standard output report.

KVALUE Reports K-values for each component on each tray.
KEYL, These two entries define a range of light key components
KEYH and heavy key components for additional tray printout. The
beginning and ending component numbers for the light key
and the heavy key are entered respectively. A report for a
single component is possible. Simply enter the (starting)
component number and omit the ending component
number..

PLOT { PROFILE,} { XCOMP=i, j / k, l /...,} { YCOMP=m,n/o,p/...,} { LOG,}
{ SFACTOR }
The statement generates selected plots of column data. Additionally, when “KEYL” and
“KEYH” appear on the “PRINT” statement, the plots will include the separation factors.
This helps in verifying the feed tray location.
PROFILE Plots the tray temperature, liquid, and vapor flow.

XCOMP Plots the sum of liquid mole fractions for components “i” through “j”
versus tray numbers.
YCOMP Plots the sum of vapor mole fractions for components “m” through
“n” versus tray numbers.
LOG Modifies XCOMP and YCOMP to plot the logarithms of the
compositions.
SFACTOR Plots the separation factors.
This requires the KEYL and KEYH entries on the PRINT

statement.

{<operator>,
The DEFINE statement and its usage are fully documented in Section 10.5. Table 12.1-
4 lists the column attributes that are available to the DEFINE feature.

Table 12.1-4
Valid COLUMN DEFINE Properties
DUTY(i) Heater/cooler duty TSVFRAC Reboiler vapor fraction

PTOP Top tray pressure TSLFRAC Reboiler liquid fraction
PCOND Condenser pressure TSTEMP Reboiler temperature
DP Pressure drop per tray TSDT Reboiler temperature
DPCOL Column pressure drop increase
EFACTOR Tray efficiency factor PARATE Pumparound rate
TEFF Tray efficiency PATEMP Pumparound temperature
TSRATE Reboiler rate PRODUCT1 P Product rate
QCOL Total column heat leak QREBO Reboiler heat leak
QCOND Condenser heat leak QTRAY Heat leak per tray
1 Available only for the OVHD, BTMS, and WATER product streams.
Example: DEFINE the condenser pressure as the pressure in FLASH F1. DEFINE
the pressure drop across the condenser as 5 pressure units. DEFINE the tray
pressure drop as CALCULATOR CAL1, result R(3). DEFINE the flow rate of the
overhead product OV1 to be equal to a calculator result R(4).
DEFINE PCOND AS FLASH=F1, PRES
DEFINE PTOP AS FLASH=F1, PRES, PLUS, 5.0
DEFINE DP AS CALC=CAL1, R(3)
DEFINE PRODUCT=OV1 AS CALC=CAL1, R(4)
Column Hydraulics Calculations (Section 12.7)

Column Hydraulics include tray sizing, tray rating, packed column sizing, and packed
column rating calculations. They are optional for all column algorithms that support
them. However, the RATEFRAC® algorithm does not perform rate-based calculations
P P
unless hydraulics calculations are specified. Section 12.7- Column Hydraulics provides
®
an extensive discussion of these features. RATEFRAC routine hydraulic calculations,
P P
and their involvement with rate-based calculations, also are fully discussed there.
TOLERANCE EQUILBRIUM=0.001, ENTHALPY=0.001,
COMP = 0.001 (for SURE and CHEMDIST)
KVALUE = 0.001 (for IO)
CHEMDIST checks the MAXIMUM error of each equation type against the
tolerance. Therefore, if you specify an error of 0.001 for the components, then the
maximum error on any tray for any component is less than 0.001 (when converged).
The mass balance and enthalpy balance equations should be straightforward. The VLE
equation check for CHEMDIST is not the same as for SURE and IO. CHEMDIST does

not use the bubble point equation ( Kx - 1= 0). Rather, it checks (Kx – y = 0) for each
component on each tray.
CHEMDIST does use the VLE equation error in the convergence check in the following
situations:
• both mole fractions, (x(i) and y(i), drop below 1E-12,
• the K-value is less than 1e-25 or greater than 1e+25, or
• the difference between x and y is greater than machine precision, as in:
(((x+y)-x) .EQ. 0.0 or ((x+y) - y) .EQ. 0.0).
The column tolerances can significantly affect the final solution. Usually, the default
tolerances result in sufficient accuracy without incurring unreasonable CPU overhead.
In the following cases, it may be necessary to tighten the tolerance:
1. The COLUMN is in a calculation loop such as in a recycle or controller loop. The
external loop in unable to converge because of inconsistent derivatives coming
from the COLUMN.
2 The COLUMN converges very slowly, and the last “converged” iteration is only
marginally superior to the previous iteration. With this type of asymptotic
convergence pattern, a number of additional steps may result in a significant
departure from the “converged” iteration. Normally in this case, it is necessary to
increase the number of iterations.
Loosening tolerances from their defaults is seldom recommended.

Tightening tolerances is indicated much more frequently.
EQUILIBRIUM Sets the distillation column VLE (bubble point) or VLLE error
tolerance. The default is 0.001.
The bubble point tolerance defines the maximum allowed

deviation of the tray bubble point from unity. It applies in the
equation:
Max ∑ (Kx ) − 1 ≤ tolerance
where K is the phase equilibrium constant (K-value) and x is
the liquid mole fraction for each component.
The CHEMDIST algorithm checks the equilibrium for each
component on each tray. The equation is:
Max Kx − y ≤ tolerance
where y is the vapor mole fraction of each component. This
equation is not used in the convergence check when both mole
fractions x(i) and y(i) drop below 1x10-12, when the K-value is
P P
-25, 25
less than 1x10 or greater than 1x10 , or when the difference
P P P P
between x and y is greater than machine precision.
ENTHALPY This sets the error tolerance for the enthalpy balance of the
distillation column. The default is 0.001.

The enthalpy balance tolerance defines the maximum allowable
error for the heat balance of each tray in the column. It applies
in the equation:
heat input heat output
Max ≤ tolerance
100 * Cp
where Cp is the total heat capacity of all streams leaving the
B B
tray. A tolerance of 0.001 is equivalent to 0.1 degrees in tray

temperature due to heat imbalance.
COMPONENT This sets the distillation column component balance tolerance.
The default is 0.001. The component balance tolerance defines
the maximum allowable error for the material balance on each
tray in the column. It applies in the equation:
C i ,in − C i ,out
Max ≤ tolerance
C i ,out
where Ci represents the total moles of component i entering or
B B
leaving the tray.
KVALUE This sets the IO algorithm K-value tolerance. The default is

0.001. The K-value tolerance defines the maximum allowable
error for the K-value of each component on each tray in the
column. It applies in the equation:
K i ,rig − K i , sim
Max ≤ tolerance
K i ,rig
where Ki,rig represents the K-value for component i generated
B B
by the rigorous K-value model (as defined on the METHOD

statement), and Ki,sim represents the K-value for component i
B B
predicted by the IO algorithm simple K-value model.

Example: Tighten the component balance to 0.0001.
TOLERANCE COMPONENT=0.0001

METHOD SET = setid, segno /... ( set method tray-by-tray )
or
METHOD SET = setid (set method for entire column)
Each tray (or stage) may use a different thermodynamic method set. When no method set
is declared, the column uses the default method set of the simulation.

setid The METHODS set defined in the
THERMODYNAMIC DATA category.
segno The last tray (or stage) for which this set is
valid.
Changing the enthalpy methods from tray-to-tray is problematic. At best, it

results in unreasonable vapor rate and temperature profile discontinuities. At
worst, the discontinuities may be so severe that the column fails to converge.
If no tray number is specified on the SET keyword (i.e., METHOD SET=setid
is used), the specified thermodynamic method is applied to the entire column
(tray 1 through tray N). This is equivalent to “METHOD SET=setid, N”.
METHOD SET=setid is useful if the number of trays in the column is increased
in a subsequent run. Using METHOD SET=setid, N in those circumstances
would require modification of the keyword file.
Example: Use thermodynamic methods set S1 for trays 1 through 5, and methods set
S2 for trays 6 through 11.
METHOD SET=S1,5/S2,11
Examples
Example 12.1.1: Simple Absorber
This example demonstrates one way to determine the lean oil rate required to recover
85% of the propane (component number 5) in the wet gas. The lean oil molar rate will
be a variable to achieve this specification. The output report should include a full
printout of all weight and mole compositions, and stream properties for each tray.
COLUMN NAME= ABSORBER

PARAMETER TRAY=4
FEED 1,4 / 2,1
PRODUCT OVHD=3,2600, BTMS=4
PSPEC PTOP=410, DPCOL=6
ESTIMATE MODEL=CONVENTIONAL
VARY FEED=2
SPEC STREAM=4, COMP=5, RATE, &
RATIO, STREAM=1, VALUE=0.85
PRINT ITER=ALL, COMP=M,WT, &
PROPTABLE=ALL, KVALUE
Figure 12.1-6 - Stabilizer

Example12.1.2: Stabilizer Column
A gasoline stabilizer has 21 theoretical trays with reboiler at tray 21. The feed enters the
column at tray 17. The bubble point condenser is at 65 psia. The pressure at the top
and bottom is 70 and 75 psia respectively. An initial estimate sets the initial overhead
rate at 153 lb-moles per hour. The specifications for this column are that 0.3 moles of
iC5 and nC5 (components 5 and 6) are lost to the overhead, and that the RVP of the
bottoms is set to 12 psi. The condenser and reboiler duties will vary to meet these
specifications. All properties are to be reported, and composition is reported on both a
mole and weight basis.
COLUMN UID=STAB, NAME=STABILIZER

PARA TRAY=21
FEED FD, 17
COND TYPE=BUBB, PRES=65
PROD OVHD=OV, 153, BTMS=BT
DUTY 1 , 1 / 2, 21
VARY DUTY=1,2
PRES 2, 70 / 21, 75
PRINT PROP=ALL, COMP=M,WT
ESTI MODEL=CONV
SPEC STREAM=OV, RATE(M), &
COMP=5,6, VALUE=0.3
SPEC STREAM=BT, RVP(APIN), VALUE=12
PRINT COMP=M, WT, &
Figure 12.1-5: Absorber
PROPTABLE=ALL
Notes: The simulation uses the following default settings:

The IO solution algorithm is used.
The feed is not separated (both the vapor and liquid portions of the feed are
fed into the liquid space on tray 17).
The pressures vary linearly from top to bottom.
The initial reflux estimate is set to 3.0.
The column writes a brief report of the iteration error sums as the calculations
proceed.

Example 12.1.3: Preflash Column With Sidestripper
This sample simulates the pre-flash tower as shown in Figure 12.1-7.
The pumparound cooler is

used to remove 5 million
Btu/hr.
A fictitious heater (Q3) on
tray 13 is used to
determine the crude
preheat requirement and
inlet temperature to
achieve the product make
and overflash desired.
Figure 12.1-7 Pre-flash Column

The desired products are:
Process Requirements
Description BBL/Day
Light Gasoline 3000
Pumparound 10000
Tray 12 liquid (over-flash) 5 vol % on feed
Product Spec
Heavy Naphtha D86 95% 375 F
Pressures are:
Condenser 48 psia
Top tray 53 psia
Tray 14 55 psia
Tray 15 55.2 psia
Sidestripper 54 psia
The keyword input for this column appears below.

TITLE PROJ= PREFLASH
DIME ENGLISH, LIQV=BBL, TIME=DAY
...
UNIT DATA
COLUMN NAME=MAIN COLUMN
PARAMETER TRAY=15, IO
FEED 9,15/1,13/6,7
PRODUCT BTMS=8,OVHD=4,8200, &
WATER=11,1,5200,LDRAW=5,8,12000
DUTY 1,1/2,7,-120/3,13
PA FROM=9, TO=7, RATE(LV)=10000, TEMP=100
CONDENSER TYPE=TFIX, PRES=48
VARY DUTY=1,3
SPEC STREAM=4,RATE(LV),VALUE=3000
SPEC TRAY=12,PHASE=L,RATE(LV), &
RATIO, STREAM=1, VALUE=0.5
PRES 2,53/14,55/15,55.2
PRINT ITER=ALL
ESTI MODEL=REFINE,CTEMP=100,RRATIO=0.7
SIDESTRIPPER NAME=NAPHTHA STR
PARAMETER TRAY=2
PRODUCT OVHD=6,BTMS=7,8000
FEED 10,2/5,1
PSPEC PTOP=54
VARY FEED=5
SPEC STREAM=7,D86(95),VALUE=375
For the above example, compositions and flows were furnished for stream 1, 9, and 10 in
the Stream Data Category. An initial estimate for stream 6 (stripper return) may be
provided. Note that the DIMENSION statement selects barrels for liquid volume units and
days as the time units.
The main column specifications are the light gasoline rate and the tray 12 liquid rate (over-
flash). The column condenser duty and tray 13 feed heater duty are variables to satisfy
these specifications.
The main column draw to the sidestripper (stream 5) is determined by the sidestripper to
satisfy the heavy naphtha D86 specification.
The crude enters the column as liquid at the furnace inlet conditions. Therefore the duty
predicted for Q3 will be equivalent to the crude furnace duty. The tray 13 temperature will
represent the flash zone conditions.

This page is intentionally left blank.

12.2 – IO ALGORITHM
U
PRO/II’s IO “Inside-Out” algorithm is a remarkably fast, versatile and robust calculational

procedure that combines the speed of the IO algorithm with several useful features
previously only available in the SURE algorithm, i.e:Water decant on any tray
Total draws
A listing of all valid IO algorithm keywords is given below in the Keyword Summary.
Features unique to the IO algorithm are described in more detail below under the Input
Description. Features common to all algorithms are given in Section 12.1, Column Input.
Keyword Summary
Unit Identification (required – Section 12.1)
COLUMN or SIDESTRIPPER or SIDERECTIFIER UID=uid, {NAME=text}

PARAMETER TRAY=value,
IO=15, ERRINC=1.0,
DAMP=1.0 (Conventional)
DAMP=0.8 (Heavy ends)
Feeds and Products (required – Section 12.1)

FEED sid, tno/..., NOTSEPARATE, SEPARATE, U U
SUPERCEDE=ON or OFF
U U
PRODUCT OVHD(M or LV or WT, unit)= sid, value, U U
BTMS(M or LV or WT, unit)= sid, value,

U U
{LDRAW(M or LV or WT, unit)= sid, tno, value/...,},

U U
{VDRAW(M or LV or WT or GV, unit)= sid, tno, value /...,},

U U
{WATER(M or LV or WT, unit)= sid, 1, value}

U U

TFLOW {NET(V or L) = sid,tno/...,
TOTAL(V or L) = sid,tno/...,
PA(V or L) = sid,tno,tno/...,
TSFEED=sid, TSLIQUID=sid, TSVAPOR=sid}

Chapter 12.2 IO ALOGRITHM 321

Condenser Type (optional - not allowed in sidestrippers –
Section 12.1)
CONDENSER TYPE=PART or MIXED or BUBB or TFIX or DTBB,
{PRES(unit)=value},
TEMP(unit)=value (for TFIX condensers only)
DT(unit)=value (for DTBB condensers only)
{TESTIMATE(unit)=value}

DUTY idno, tno, value/....
(Duty in millions of energy/time units. HEAT is an alternate name for DUTY)

QSPEC(unit) =tno, value/ ...
or
QCOLUMN QCOND(unit) =value, QREBO(unit)=value,
QCOL(unit)=value or QTRAY(unit)=value
(Duty in millions of energy/time units.)
Thermosiphon Reboiler (optional)

REBOILER TYPE=KETTLE or THERMOSIPHON, U U
BAFFLE=NO or YES,
{RATE(M or WT or LV)=value or
U U
LFRAC(M or WT or LV)=value or U U
VFRAC(M or WT or LV)=value or U U
TEMP(unit)=value or DT(unit)=value},
Pumparounds and Bypasses (optional – Section 12.1)

Requires at least one of RATE, LFRAC, TEMP or DT.
PA FROM=tno1, TO=tno2, PHASE= L or V,
B B B B U U
{PRES(unit)=value},
{RATE(M or WT or LV)=value},
U U
{LFRAC(M or WT or LV)=value or TEMP(unit)=value or

U U
DT(unit)=value},

PRESSURE(unit) tno,value/....
or
PSPEC PTOP(unit)=value,
DPCOL(unit)= 0.0 or DPTRAY(unit)=value
If a thermosiphon reboiler is attached to the column, the pressure at tray N is the

same as the pressure at tray N-1. For a kettle reboiler the pressures at tray N and tray N-1
may be different.
Initial Estimate Generator (optional – Section 12.1)

ESTIMATE MODEL= SIMPLE or CONVENTIONAL or
U U
REFINING or CHEM
{CTEMP(unit)=value, TTEMP(unit)=value,
BTEMP(unit)=value, RTEMP(unit)=value},
RRATIO=3.0 or REFLUX=value
User-supplied Profile Estimates (optional – Section 12.1)

{TEMPERATURE(unit) tno, value/...},
{VAPOR(M or WT or LV or GV)
U U tno, value/...},
{LIQUID(M or LV or WT)
U U tno, value/...}
{CESTIMATE(L or V) U U tno, x1, x2,.../...}
B B B B
Performance Specifications (usually required – Section 12.1)

SPEC({CHANGE}) STREAM = sid, <property 1>, PHASE=T or L or V,
WET or DRY, U U

SPEC({CHANGE}) <property 1>, PHASE=L or V, TRAY=tno, U U
WET or DRY, U U

SPEC({CHANGE}) REFLUX(M or WT or LV or GV) or U U
RRATIO(M or W or LV or GV), U U
WET or DRY, U U


SPEC({CHANGE}) DUTY(idno, unit),

statement – Section 12.1)
VARY DUTY=idno,..., DRAW=sid,..., FEED=sid,...
TBP Cutpoint Specification (optional - available with IO and

Enhanced IO only)
SPEC STREAM=sid, CUTPOINT(tunit), REFSTRM=sid,
VALUE=value
PORDER sid,...
Tray Efficiencies (optional – Section 12.1)

TEFF(MURPHREE or EQUILIBRIUM or VAPORIZATION)
tno, value/...
CEFF(MURPHREE or EQUILIBRIUM or VAPORIZATION)
tno, i, value/...
EFACTOR value

HOMOTOPY SPECIFICATION=specno, INITIAL=value,
U U
ITERATIONS=10, HVARYFLAG={0,1}
Print Options (optional - ignored in sidestrippers – Section

12.1)
U U

U U
{RECOVERY}, {TEFF}, {TLOAD, DIAGRAM},

{TLOAD, DIAGRAM},
{PROFILE=NONE or ESTI or ALL or FINAL}
U U
{COMPOSITIONS=M and/or WT and/or LV and/or GV},

{XYDATA, KVALUE}, {KEYL=i, j, KEYH=k, l},

PLOT {PROFILE},{XCOMP=i,j/k,l/...},{YCOMP=m,n/o,p/...},{LOG},
{SFACTOR}

{<operator>,

FZONE TRAY=tno, TLDT(tunit),
{HEATEREFFI=0.85}, LBYPASSFRC=0.99,
U U
VBYPASSFRC=0.99
U U
Tray Hydraulics Calculations (optional - refer to Section 12.7)

TSIZE SECTION(idno)=tno1,tno2, VALVE or SIEVE or CAP,
B B B B U U
PASSES=defvalue, SF=1.0, SPACING(TRAY, IN)=24.0,

DMIN(IN)=15, FF=defvalue, {DPCALC=1.0}
TRATE SECTION(idno)=tno1,tno2, V1 or V4 or SIEVE or CAP, U U
PASSES=1, SF=1.0,
SPACING(TRAY, IN)=24.0,
DIAMETER(TRAY, unit)=value,
THICKNESS(DECK,GAUGE)=14,
THICKNESS(VALVE, GAUGE)=16,
{NUMBER(VALVES or CAPS)=value},
{SPACING(CAP,unit)=value},
DIAMETER(VALVE or SIEVEHOLE or CAP, unit)=defvalue,
HOLEAREA(PERCENT)=12.0,
MATERIAL(VALVE)=SS,
WEIR(unit)=defvalue, DCC(unit)=defvalue,
DCW(unit)= defvalue1,...,defvalue8,
{DPCALC=1.0}
PACKING (Random packing)
SECTION(idno)=tno1, tno2, TYPE=itype,
SIZE(unit)=value, {FACTOR(unit)=value},
{HEIGHT(unit)=value or HETP(unit)=value},
HMETHOD=FRANK, DPMETHOD=NORTON,
{DIAMETER(unit)=value},
{DPSECTION(unit)=value or DPPACK(unit,unit)=value},
FLMETHOD or
U U
FLOOD(unit)=value, DESIGN(unit)=value,

FLAPPROACH=0.5
or
CSMETHOD,
CSMAX(unit)=value, and/or CSDESIGN(unit)=value,
CSAPPROACH=0.88
PACKING (Structured packing)
SECTION(idno)=a, b, SULZER=itype,
{DIAMETER(unit)=value}

TFLOW {NET(V or L)=sid,tno/..., TOTAL(V or L)=sid,tno/...,
PA(V or L)=sid, tno1, tno2/...
B B B B

however, care must be used not to destroy the problem overall mass balance. An
unlimited number of TFLOW streams may be created.
NET The net vapor or liquid flow from one tray to the next. For
example, NET(L) specifies the pseudo stream to be the liquid
leaving tray “tno”, not including product or pumparound
draws.
TOTAL The total vapor or liquid flow leaving a tray, including product
and pumparound draws.
PA The liquid or vapor draw to a pumparound. tno1 is the draw
tray number, and tno2 is the return tray.
TSFEED The feed to the reboiler. This stream has the composition,
temperature, and pressure of the liquid at the surface of the
sump. To simulate a rigorous thermosiphon reboiler using
HXRIG, the static head must be added via a flash.
TSLIQUID The liquid stream from the reboiler. This is the liquid stream
obtained by flashing the reboiler return stream at the column
conditions on stage N-1.
TSVAPOR The vapor stream from the reboiler. This is the vapor stream
TLDT(tunit) This optional keyword supplies the transfer line temperature

drop. If the process exit temperature from the furnace is 700
F, a value of 5 F for this keyword means that the column feed
will lose duty such that the temperature as it enters the
column is 695 F.

Tolerances (optional – Section 12.1)
TOLERANCE EQUILBRIUM=0.001, ENTHALPY=0.001, KVALUE=0.001
Thermodynamic Set Selection

METHOD SET=setid, tno/...
General Information
Methodology
The IO algorithm is an “Inside/Out” distillation solution method. It uses stripping factors as
the iteration variables. This serves to accelerate the solution, because the column is
always in mass balance. In the inner loop, simplified thermodynamic models are used to
solve the column heat balances and specifications. When the inner loop has converged,
the simplified thermodynamic models coefficients are updated in the outer loop and a
convergence check is made. The column is considered solved when the thermodynamic
models are no longer changing, and the bubble point equations are satisfied.
The first time that the inner loop is entered, the Jacobian matrix is calculated rigorously.
After this, the IO algorithm uses a method to approximate the inverse to the Jacobian
matrix, and thus avoids a time consuming matrix calculation for each inner loop iteration.
This matrix approximation technique combined with the simplified thermodynamic models
gives the IO algorithm its quick execution speed.
Initial Estimates
One of the most attractive feature of the IO algorithm, as implemented in PRO/II, is the
minimal requirement for initial estimates. In many cases, the only requirement is for a
molar rate for either the overhead or bottom product rate; the estimate does not have to
be particularly good. As the column model progresses from a conventional, ideal
distillation to a complex or non-ideal fractionator, a more refined initial estimate may be
required. However, detailed initial temperature and vapor profiles are rarely required to
obtain a solution.
Column Merging
The IO and Enhanced IO algorithms are the only PRO/II distillation methods capable of
merging side columns and main-fractionator together for simultaneous solution. The
advantages to this are faster execution more flexible product specifications.
For example, if it is necessary to have both a D86(5%) specification as well as a
D86(95%) specification on a sidestripper product, the SURE algorithm requires a multi-
variable controller (MVC) unit operation wrapped around the main-fractionator/sidestripper
pair of columns. The Enhanced IO algorithm can solve this problem by specifying the
products directly. Furthermore, the IO Column will solve using substantially less computer
time than the SURE column iterative calculation with the MVC.
To take advantage of column merging, the following conditions must exist:
Both the COLUMN and SIDESTRIPPER/SIDERECTIFIER must use the IO method.

For a SIDESTRIPPER, at least one main-fractionator LDRAW product must feed the top
tray of the SIDESTRIPPER. The overhead vapor must return to the main-fractionator.
Condensers are not permitted on SIDESTRIPPERS.
For a SIDERECTIFIER, at least one main-fractionator VDRAW product must feed the
bottom tray of the SIDERECTIFIER. The bottom liquid must return to the main-
fractionator.
Thermosiphon Reboilers
The IO algorithm supports the modeling of thermosiphon reboilers with and without baffles
by using the REBOILER statement. In this way, the reboiler is modeled as two theoretical
stages, and the liquid and vapor flows in the bottom of the column are more accurately
simulated.
The phrase “two theoretical stages” does not mean “two equilibrium stages”.
Limitations
Except for the decantation of pure water from the condenser, the IO algorithm does not
support two liquid phases. Thus, the KVALUE(LLE) designation in the METHODS setid is
ignored. To rigorously solve three-phase distillation problems, use the CHEMDIST or
SURE algorithms. Also, water draws on any tray other than tray 1 are invalid. To solve
problems with free-water below the condenser, use the SURE algorithm.
The IO algorithm does not support total pumparounds. If total pumparounds are required,
use the SURE algorithm.
Input Description
Section 12.1, Column Input, describes most of the keyword input for the IO algorithm. The
exceptions to this are the PARAMETER and REBOILER statements which contain
features unique to the Enhanced IO algorithm, the FZONE statement for flash zone
calculations and the TBP cutpoint specification option. All of these are described below.
Special notes on IO keyword input concerning products, column pseudo products,
pumparounds, composition estimates, and performance specifications are also given
below.

IO=15, ERRINC=1.0,
The PARAMETER statement sets the number of trays in the column, the solution
algorithm, and a number of parameters relating to the solution algorithm chosen.

TRAY This entry is required and specifies the number of trays in the
column, including the condenser and reboiler (if present). Anywhere
from one to unlimited trays are allowed. PRO/II requires the
theoretical number of trays, unless the tray efficiency feature is
invoked, in which case the actual number of trays is entered.
IO The IO algorithm is selected. Supplying an integer argument
specifies the number of iterations. The default is 15 IO iterations.
ERRINC Values greater than 1.0 allow inner loop errors to increase during
solution. This is useful in solving certain difficult columns. Changing
this value may result in a change in solution path, but will still result
in rigorous solutions that satisfy the specifications and balances
within tolerance. Refer to PRO/II Technical Bulletin Number 1 for
more information.
DAMP Supplying a damping factor of less than 1.0 tends to increase the
likelihood of convergence at the expense of CPU time. Heavy-ends
refinery fractionators and non-ideal chemical columns are good
candidates for damping.
Heavy-ends fractionators are detected automatically if petroleum
pseudocomponents are present and the fractionator has at least one
sidestripper. The damping factor for these systems defaults to 0.8.
Example: A column with 25 trays is to use the IO algorithm with a maximum of
12 iterations. A damping factor of 0.7 is to be used
PARAMETER IO=12, TRAYS=25, DAMP=0.7

FZONE TRAY=tno, TLDT(tunit),
U U
VBYPASSFRC=0.99
U U
The FZONE statement models a fired heater added to a tray in a distillation column. The
efficiency of this fired heater may be supplied on this statement. In addition, the fraction of
liquid or vapor bypassing the heater may also be supplied on the FZONE statement. Any
number of FZONE statements are allowed.
Each FZONE statement represents one theoretical stage in the column. The user
should revise the number of theoretical stages to account for each flash zone defined.

TRAY This required keyword specifies the location of the feed to the flash
zone.
HEATEREFFI This optional keyword supplies the fired heater efficiency as a fraction
less than or equal to 1.0. The fired duty of the heater is equal to the
absorbed duty (i.e., equal to the tray duty as calculated by the
column) divided by the heater efficiency. A default value of 0.85 is
used if a value is not supplied.
LBYPASSFRC, These keywords specify the fraction of liquid and vapor bypassing the
VBYPASSFRC flash zone. The values supplied should be between 0.0 and 0.999. A
default value of 0.99 is used for LBYPASSFRC, while a default value
of 0.99 is used for VBYPASSFRC if these keywords are not provided.
TLDT(tunit) This optional keyword supplies the transfer line temperature drop. If
the process exit temperature from the furnace is 700 F, a value of 5 F
for this keyword means that the column feed will lose duty such that
the temperature as it enters the column is 695 F.
In Figure 12.2-1, 99.9% of the vapor bypasses the flash zone at tray 10(n), while none of
the liquid is bypassed. The efficiency of the fired heater is 90%. The FZONE statement is
as follows:
FZONE TRAY=10, HEAT=0.90, LBYPASSFRC=0.0, &
VBYPASSFRC=0.999
Figure 12.2-1: Flash Zone Example, n=10

Note in Figure 12.2-1 that all the liquid from tray 9(n-1) passes through the flash zone
region tray 10(n), before continuing to tray 11(n+1) below the flash zone. However, 99.9%

of the vapor up from tray 11(n+1) bypasses the flash zone tray 10(n) and continues
instead directly to tray 9(n-1).
Feeds and Products

Except for a pure water decant from the condenser, the IO algorithm does not support two
liquid phases. L1DRAW and L2DRAW are invalid keywords on the PRODUCT statement.
L1 and L2 are invalid as an argument to the OVHD keyword.

BAFFLE=NO or YES,
U U
U U
U U
The REBOILER statement is used to define thermosiphon reboilers with or without baffles
and kettle reboilers. Only one reboiler per column is allowed. The reboiler must be
associated with a heater, which must be defined on the bottom stage of the column on the
DUTY statement. If the REBOILER statement is present, no pumparound to and from the
reboiler stage is allowed.
TYPE Defines the reboiler type. PRO/II supports two reboiler types
– kettle (or once-through thermosiphon), which is the default,
and thermosiphon.
BAFFLE Defines the presence or absence of a bottoms baffle. NO
indicates that no bottoms baffle is present. This is the default.
For a column with a bottoms baffle, and the reboiler return
liquid returning to the reboiler sump, for all practical purposes,
the pressure at the surface of the reboiler and bottoms sumps
is the same, even though there is a small static head
difference. The vapor leaving the bottoms sump is then
practically zero. To model this reboiler then (also known as a
circulating thermosiphon), the BAFFLE=NO option should be
chosen. YES should be selected when the reboiler return
liquid is returned to the bottoms sump. This type is also
known as a preferential thermosiphon. Figures 12.2-2 and
12.2-3 illustrate the types of thermosiphon reboilers available.
RF, RL, and RV are the reboiler feed and liquid and vapor
B B B B B B
flows from the reboiler respectively. For both cases, the

reboiler return is flashed at the reboiler exit nozzle at the
sump pressure. Thus, for the BAFFLE=YES case, the
bottoms product is identical to the reboiler liquid phase
product, RL. B B

RATE The recirculation rate of the thermosiphon reboiler on a mole
(M-default), weight (WT), or standard liquid volume (LV)
basis.
Figure 12.2-2 Thermosiphon Reboiler, BAFFLE=NO
LFRAC The liquid fraction of the thermosiphon reboiler return stream

on a mole (M-default), weight (WT), or standard liquid volume
(LV) basis. The default value is 0.5 when this keyword is
given without a supplied value.
VFRAC The vapor fraction of the thermosiphon reboiler return stream
(LV) basis.
LFEST The estimate of the reboiler liquid product to reboiler feed
ratio on a molar basis.
VFEST The estimate of the reboiler vapor product to reboiler feed
It should be noted that the thermosiphon reboiler counts as two theoretical stages, one for
the reboiler return, and another for the bottom sump (bottom product stage).
Please note that this manual makes a distinction between the words “stage” and “tray”.
The reboiler return stage is not modeled as a tray, but is, in effect, modeled as a non-

adiabatic flash of stream Rf. The heat input is simply the reboiler duty. Likewise, the
B B
reboiler sump stage can be thought of as a mixer followed by an adiabatic flash. The
mixer combines the spillover from the bottoms sump, Lo, with the liquid downflow from the
tray above. The flash accounts for any changes in equilibrium due to the mixing of two
streams at potentially different temperatures and compositions. For the baffled case, the
reboiler sump does not count as an additional theoretical stage.
Example: A column with a thermosiphon reboiler is to be modeled. The reboiler
return liquid is to be returned to the bottoms sump, and the liquid fraction of the
reboiler return stream is specified as 0.52 on a weight basis.
REBOILER TYPE=THERMOSIPHON, BAFFLE=YES,
LFRAC(WT)=0.52
Figure 12.2-3 Thermosiphon Reboiler, BAFFLE=YES
Pumparounds and Bypasses

The Enhanced IO algorithm does not support TOTAL pumparounds.
User-Supplied Profile Estimates

The IO algorithm does not support L1 and L2 phase composition estimates.
Performance Specifications
COLUMNS and SIDESTRIPPERS or SIDERECTIFIERS are merged and solved as a
single column. The number of SPEC statements may differ from the number of variables
on the VARY statement for each individual column, but the total number of SPEC
statements must equal the total number of variables for the entire merged column.

TBP Cutpoint Specification (optional)
VALUE=value
PORDER sid,...
The specification statement specifies a column product stream in terms of the TBP
distillation of a reference stream (typically the column feed).
STREAM This keyword is used to specify the stream to be SPEC’d.
sid The stream id.
CUTPOINT This keyword specifies the cutpoint option.
tunit The temperature units may be provided using this
qualifier. If this entry is not supplied, the default
problem input units will be used.
REFSTRM This keyword is used to specify the reference stream.
sid The stream id.
VALUE This keyword supplies the cutpoint value.
value The specified TBP cutpoint value.
PORDER sid,...
The PORDER statement lists the column product streams from the lightest to heaviest
product.
sid The stream id. The streams should be listed in the order of
lightest to heaviest product, up to and including the stream
being SPEC’d by the CUTPOINT specification. The remaining
column products may also be listed, but are not required.

U U
SPECIFICATION This entry requires a positive integer specification number.
The specification number is based on the order of
specifications listed for the column of interest, starting at 1.
For merged columns, each column section requires its own
homotopy statement, and should refer to the internal SPEC
number for that section. There can be at most one homotopy
statement for any internal SPEC.
SPEC variable which is converged through homotopy.
ITERATIONS This entry requires a non-negative integer. This is the number
of homotopy iterations in which the final value for the SPEC
will be achieved.

SPEC statement is altered by another unit operation (typically
a controller), then the homotopy iterations are carried out to
satisfy the altered SPEC as well. In this case, the INITIAL
value defaults to the last converged value. The number of
ITERATIONS is the same as specified earlier. The default
value for this flag is zero, which turns off the HVARYFLAG
option.
Example
1: Column with Thermosiphon Reboiler
A deethanizer to remove C2 and lighter components from a hydrocarbon gas feed is to be
designed. The bottoms product must contain ethane to propane in the ratio 0.025. Ninety-
nine percent of the propane in the feed must be recovered in the bottom product. The
TITLE
column contains 20 theoretical stages with a thermosiphon reboiler without baffles at
stage 20. The reboiler return stream liquid fraction is specified to be 0.65. The feed at tray
10 is flashed at the feed tray pressure, the vapor rising under tray 9 and the liquid
dropping onto tray 10. The condenser pressure is specified as 425 psig. A TFLOW
statement is used to create pseudo streams equivalent to the reboiler feed, liquid, and
vapor streams.
Figure 12.2-4: Column with

Thermosiphon
Reboiler

12.3 – SURE ALGORITHM
U
The SURE algorithm has been tested for four generations of process simulation programs.
It offers some functionality not available to the IO and CHEMDIST algorithms:
Rigorous three-phase distillation (not available for IO)
Water decant on any tray (not available for IO and CHEMDIST)
Total pumparounds (not available for IO and CHEMDIST)
The SURE algorithm offers an alternative to the IO and CHEMDIST algorithms if they fail
to solve.
Keyword Summary

PARAMETER TRAY=value, SURE=10, STOP=5,
CAVE=0, KEY=i, {FREEWATER}

SUPERCEDE=ON or OFF
U U

U U

U U
{VDRAW(M or LV or WT or GV, unit)= sid, tno, value/...,},

U U
(FREEWATER not active)

{WATER(M or LV or WT, unit)= sid, 1, value or
U U
(FREEWATER active)
{WATER(M or LV or WT, unit)= sid, tno, value/...}
U U
(VLLE active)
{L1DRAW(M or LV or WT, unit)= sid, tno, value/…}
U U
(VLLE active)
{L2DRAW(M or LV or WT, unit)= sid, tno, value/...} U U

Chapter 12.3 SURE ALGORITHM 337


{PRES(unit)=value},
Reboiler (optional)
BAFFLE=NO or YES, U U
U U
If the reboiler is referenced from outside the column, you must enter it using the
REBOILER statement, rather than through a heater on the last tray.

DUTY idno, tno, value/ ...
(Duty is in millions of energy/time units. HEAT is an alias for DUTY).

QSPEC(unit)=tno, value/ ...
or
Pumparounds and Bypasses (optional)

Requires at least one of RATE, LFRAC, TEMP, DT, or TOTAL.
PA FROM=tno, TO=tno, PHASE= L or V, U U
{PRES(unit)=value},
U U

U U

DT(unit)=value},
{TOTAL}

or

U U
REFINING or CHEM

U U tno, value/...}
{CESTIMATE(L or L1 or L2 or V) U U tno, x1, x2,.../...}
B B B B

WET or DRY, U U

WET or DRY, U U

WET or DRY, U U



statement)

U U

U U

U U

U U
{COMPOSITIONS=M and/or WT},


{SFACTOR}

{<operator>,
Tray Hydraulics Calculations (optional - refer to Section 12.7)

U U

TRATE SECTION(idno)=tno1,tno2, V1 or V4 or SIEVE or CAP,
U U
PASSES=1, SF=1.0,

MATERIAL(VALVE)=SS,
{DPCALC=1.0}
FLMETHOD or
U U
FLAPPROACH=0.5
or
CSMETHOD,
CSAPPROACH=0.88
{DIAMETER(unit)=value or CAPACITY(unit)=value}

TOLERANCE EQUILBRIUM=value, ENTHALPY= value, COMP= value

General Information
Methodology
The SURE method employs a Newton-Raphson convergence technique implemented with
a matrix partitioning scheme developed by SimSci.
Side Columns
SIDESTRIPPERS/SIDERECTIFIERS are solved as separate columns. PRO/II operates
under a special set of heuristics that permit efficient solution of the column and recycles.
The first time through the loop, the main-fractionator is set up by the initial estimate
generator, but no actual column iterations are performed until the side columns are fully
solved. Thereafter, the main-fractionator iterates a maximum of two times per recycle
loop, allowing the recycle to update the feeds on a timely basis. Thus, the main-
fractionator and recycles converge jointly, if not quite simultaneously.

Special Considerations in Three-phase Distillation
In most three-phase distillation applications the region in which two liquid phases will form
is normally restricted to a few trays. Usually, the second liquid phase is withdrawn and
most of the column operates in a single liquid phase regime. Adding the VLLE keyword to
the METHODS statement in the Thermodynamic Data Category will, by default, cause
three-phase equilibrium calculations to be done on all column trays. If it is known, a priori,
that two liquid phases will only be present over a limited range of trays, then considerable
computer time can be saved by restricting the use of VLLE methods to those trays by
using the column METHODS statement ending tray entry.
Limitations
Of the three distillation algorithms, the SURE has the greatest amount of functionality.
However, the following are reasons why you may wish to consider a different algorithm
first:
1. The SURE algorithm is slower than the IO algorithm for most applications and is
usually slower than CHEMDIST for non-ideal systems.
2. It is poorly suited to solving stream property specifications on SIDESTRIPPERS
and SIDERECTIFIERS products.
If water is decanted in the column, water must be designated as component 1 in

the Component Data Category. Otherwise, PROIN will issue an error message.
Input Description
Section 12.1, Column Input, describes most of the keyword input for the SURE
algorithm. Two exceptions to this are the PARAMETER statement, which contains
features unique to the SURE algorithm and the PRODUCT statement, which contains the
additional optional L1DRAW and L2DRAW keywords. The PARAMETER statement and
the L1DRAW and L2DRAW keywords are described in the following.

PARAMETER TRAY=value, SURE=10, STOP=5, CAVE=0,
KEY=i, {FREEWATER}
algorithm, and a number of parameters relating to the SURE algorithm.

column, including the condenser and reboiler (if present).
Anywhere from two to unlimited trays are allowed. PRO/II
requires the theoretical number of trays unless the tray
efficiency feature is invoked, in which case the actual number
of trays is entered.
SURE Selects the SURE algorithm. An integer value supplies the
number of iterations. Defaults to SURE=10.
STOP To ensure that PRO/II does not consume large amounts of
computer time trying to converge hopeless distillation
problems, the program normally terminates when it executes 5
iterations without improving the solution. This number can be
increased to a maximum of STOP=9, which occasionally
allows the algorithm to turn itself around and achieve
convergence.
CAVE The presence of the CAVE keyword invokes component
averaging between iterations to dampen column oscillations
due to highly non-ideal chemical mixtures where the
composition effect on K-values is extremely large. The default
is no component averaging. If the CAVE keyword is given, it
defaults to a value of CAVE=0. Increasing values will result in
more severe damping. Values greater than 3 are not
recommended.
KEY Designates a “key” or “pivot” component. A distributed
component, not involved in a column performance
specification, is selected automatically by PRO/II, and the user
is not normally required to enter it. In the unlikely case where
all components are involved in performance specifications, an
additional “dummy” component must be added to the
component list in the Component Data Category, and it must
be designated as the key. In rare circumstances, changing the
KEY component will enhance convergence. The KEY entry is
available only for the SURE algorithm and has no relevance to
IO or CHEMDIST.
FREEWATER This option is relevant only for water-hydrocarbon systems. In
such systems, excess free water is normally allowed to appear
only at the condenser or tray 1 and is automatically decanted.
When using the FREEWATER option, a separate free water
phase may exist on any or all trays in the column. In the latter
case, free water can be removed separately on trays with
designated water traps as WATER product streams.

Example: A column with 25 trays is to use the SURE algorithm with a maximum of 12
iterations. Free water decant for multiple trays is chosen.
PARAMETER TRAYS=25, SURE=12, FREEWATER
Products (required)

U U

U U

U U
(FREEWATER not active)

{WATER(M or LV or WT, unit)= sid, 1, value or
U U
(FREEWATER active)
{WATER(M or LV or WT, unit)= sid, tno, value/...}
U U
(VLLE active)
{L1DRAW(M or LV or WT, unit)= sid, tno, value/…}
U U
(VLLE active)
{L2DRAW(M or LV or WT, unit)= sid, tno, value/...}
U U
column. Section 12.1, Column Input, describes all the keywords used in the PRODUCT
statement except L1DRAW and L2DRAW:
L1DRAW or L2DRAW may be used in conjunction with a VLLE thermo method only.
L1DRAW refers to the total draw of the first liquid phase with primary component defined
on the thermo METHOD statement L1KEY entry. L2DRAW refers to the second liquid
phase defined by the thermo METHOD statement L2KEY entry. Only one of these can be
used for any given tray. SPECIFICATION statement or VARIABLE entries may not refer to
the streams defined by these statements.
L1DRAW tno The draw tray number. VLLE needs to be active for all trays
or < tno (all trays above and including tno).
L2DRAW
value An estimate of the total draw rate in moles per unit time
(default) or liquid volume or weight per time. PRO/II will
determine the actual amount available for the total draw.
For three-phase distillation (distillation using a VLLE thermo method), it is possible to
designate a total draw from the condenser of either phase one or phase two liquid by
using L1DRAW or L2DRAW. The remaining liquid phase constitutes the liquid product (if
any). All five condenser types as described in Section 12.1, Column Input, are valid.
Example:
THERMODYNAMIC DATA
METHODS SYSTEM=SRKKD, KVALUE(VLE) = SRKKD, SET=SET01, &
DEFAULT
METHODS SYSTEM=SRKKD, KVALUE(VLLE) =SRKKD, L1KEY= 5, &
L2KEY =13, SET=SET02
COLUMN

PRODUCT OVHD=1,50, BTMS=2, &
LDRAW=3,1,100, L2DRAW=4,1,50
CONDENSERTYPE = MIXED
METHODS SET= SET02,1/SET01,20
In this example, there are an estimated 50 moles of vapor product stream 1, 100 moles of
phase 1 liquid product stream 3 and a total draw phase 2 liquid product stream 4. The
reflux has the same composition as the stream 3. Only tray one (the condenser) is
considered for three-phase calculations.
Figure 12.3-1: Three-Phase Condenser

U U

SPECIFICATION This entry requires a positive integer specification number. The
specification number is based on the order of specifications listed
for the column of interest, starting at 1. For merged columns, each
column section requires its own homotopy statement, and should
refer to the internal SPEC number for that section. There can be at
most one homotopy statement for any internal SPEC.
INITIAL This entry requires a real number for the initial value of the SPEC
variable, which is converged through homotopy.
ITERATIONS This entry requires a non-negative integer. This is the number of

homotopy iterations in which the final value for the SPEC will be
achieved.
SPEC statement is altered by another unit operation (typically a
controller), then the homotopy iterations are carried out to satisfy
the altered SPEC as well. In this case, the INITIAL value defaults
to the last converged value. The number of ITERATIONS is the
same as specified earlier. The default value for this flag is zero,
which turns off the HVARYFLAG option.

12.4 – CHEMDIST
U
ALGORITHM
The chemicals distillation algorithm (CHEMDIST) is particularly well suited for solving
difficult, non-ideal distillation problems. The CHEMDIST algorithm uses liquid activity
coefficients and vapor phase fugacities directly, so CHEMDIST is applicable only when
liquid activity or advanced equation of state methods are chosen in the Thermodynamic
Data Category. CHEMDIST handles both vapor-liquid equilibrium and vapor-liquid-liquid
equilibrium problems. In general, the CHEMDIST algorithm is the best method for three-
phase distillation problems, or for two-phase problems when the IO algorithm encounters
difficulty.
Keyword Summary
COLUMN UID=uid, {NAME=text}

PARAMETER TRAY=value, CHEMDIST=20
DAMP=1.0, ERRINC=1.0, CUTOFF=1.0E -8

SUPERCEDE=ON or OFF U U
OVHD(L1 or L2, M or LV or WT, unit)= sid, value U U

U U

U U

U U

U U

U U
{L1PART(M or LV or WT, unit)= sid, tno, value/...},

U U
{L2PART(M or LV or WT, unit)= sid, tno, value/...}

U U

TOTAL(V or L) = sid,tno/...

{PRES(unit)=value},

Chapter 12.4 CHEMDIST ALGORITHM 347

Reboiler (optional)
REBOILER TYPE=KETTLE, U U
U U
U U
U U
If the reboiler is referenced from outside the column, you must enter it using the
REBOILER statement, rather than through a heater on the last tray.
CHEMDIST requires a REBOILER TYPE=KETTLE statement if the reboiler is

referenced from outside the column or if the user wants a reboiler on importing into
PRO/II.


or

or

U U
REFINING or CHEM
RRATIO=(LD or LF or L1 or L2)=3 or
U U
REFLUX=(L or L1 or L2)=valueU U

The RRATIO qualifiers are defined as follows:
LD is the liquid to distillate ratio.
LF is the liquid product to feed ratio.
L1 is the liquid 1 to liquid 1 distillate ratio.
L2 is the liquid 2 to liquid 2 distillate ratio.

U U tno, value/...}
{CESTIMATE(L or V) U U tno, x1, x2,.../...} B B B B

WET or DRY, U U

WET or DRY, U U

SPEC({CHANGE}) REFLUX(M or WT or LV or GV) or
U U
U U
PHASE=L or L1 or L2
U U
WET or DRY,
U U


statement)

U U
PROPTABLES=BRIEF or PART or ALL, U U

U U



PLOT {PROFILE}, {XCOMP=i,j/k,l/...}, {YCOMP=m,n/o,p/...}, {LOG},
{SFACTOR}

{<operator>,

B B B B U U

B B B B U U
PASSES=1, SF=1.0,
MATERIAL(VALVE)=SS,
DCW(unit)= defvalue1,...,defvalue8, B B
{DPCALC=1.0}

(Random packing)
PACKING SECTION(idno)=tno1, tno2, TYPE=itype,
FLMETHOD or
U U
FLAPPROACH=0.5
or
CSMETHOD,
CSAPPROACH=0.88
(Structured packing)
PACKING SECTION(idno)=a, b, SULZER=itype,
{DIAMETER(unit)=value or CAPACITY(unit)=value}


VLLECHECK CHECK=ON or OFF, TRAYS=value, SET=setid
Tray Efficiencies (optional - 71)

TEFF(VAPORIZATION) tno, value/...
CEFF(VAPORIZATION) tno, i, value/...
EFACTOR value
General Information
Methodology
CHEMDIST uses a modified Naphtali-Sandholm algorithm with a matrix solver developed
at SimSci. Liquid activity coefficients and vapor phase fugacities are used directly, rather
than being converted to K-values. Mole fractions undergo a non-linear mapping which
improves convergence.

Three-Phase Distillation
The presence of two liquid phases is automatically detected and taken into account
provided the SET selected on the METHOD statement supports vapor-
liquid-liquid equilibrium (VLLE) calculations.
The two liquid phases are identified as L1 and L2. PRO/II usually defines the heavier
(most often aqueous) phase to be L2. For example, in an ethanol-benzene-water system,
the benzene rich phase is designated as L1 and the aqueous phase is designated as L2.
To designate a total liquid draw of the aqueous phase at the condenser, specify an
L2DRAW at tray 1. The L1KEY and L2KEY provided by the user is only for flash
initialization. The L2 phase will be the heavy phase regardless of what is specified in the
L2KEY.
If the user designates VLLE calculations for part of the column and VLE for the rest,
PRO/II checks the VLE trays in the converged solution for possible VLLE behavior. If
VLLE behavior is found, the column may be re-solved according to the rules for the
VLLECHECK statement. VLLE trays are added one tray at a time resulting in a stable
solution path.
Limitations
CHEMDIST does not support pumparounds and LDRAW with VLLE thermo sets. Certain
specification types are not allowed as described in the Input Description below.
Most of the keyword input for the CHEMDIST algorithm is described in Section 12.1,
Column Input. Features unique to CHEMDIST are described below.
Input Description
Unit Identification (required - Section 12.1)
The CHEMDIST algorithm does not support SIDESTRIPPERS or SIDERECTIFIERS.

PARAMETER TRAY=value, CHEMDIST=20, DAMP=1.0,
ERRINC=100, CUTOFF=1.0E-8
The PARAMETER statement sets the number of trays in the column, selects the
CHEMDIST algorithm and a number of parameters relating to the CHEMDIST algorithm.

Anywhere from two to unlimited trays are allowed.
CHEMDIST Selects the CHEMDIST algorithm. An integer argument specifies

the number of iterations. The default is CHEMDIST=20.
DAMP Supplying a DAMP factor of less than 1.0 reduces the magnitude
of the composition update from one iteration to the next and may
increase the likelihood of convergence at the expense of CPU
time. The default is DAMP=1.0.
ERRINC This limits the size of the sum of the errors increase from
iteration to iteration. The default value is 100, which means that
the sum of the errors can increase two orders of magnitude
between consecutive iterations. Should the sum of the errors
increase beyond that, the step size is decreased. Note that the
CHEMDIST algorithm sometimes requires a significant increase
in the sum of the errors before a converging path is obtained.
The ERRINC entry restricts the initial diverging step from
traveling so far that it cannot recover.
CUTOFF This entry controls the use of the damping factor. When the sum
of the errors is larger than the CUTOFF value, the damping
factor supplied by the DAMP keyword is used. Should the sum of
errors become smaller than the CUTOFF value, the default
damping factor of 1.0 is used. The default CUTOFF value is 1.0
-8
x 10 . P P
Example: A non-ideal distillation with 25 trays is to use the CHEMDIST algorithm with a
maximum of 12 iterations.
PARA CHEMDIST=12, TRAYS=25
Products (required)
SUPERCEDE=ON or OFF U U
OVHD(L1 or L2, M or LV or WT, unit)= sid, value U U BTMS(M or

U U
LV or WT, unit)= sid, value,

U U

U U

U U

U U {L1PART(M U U
or LV or WT, unit)= sid, tno, value/...},

{L2PART(M or LV or WT, unit)= sid, tno, value/...}
U U

column.
OVHD Identifies the overhead product stream, sid. For PARTIAL and
MIXED condensers, or for columns without condensers, this
stream is the vapor phase product.
CHEMDIST columns with no overhead vapor product must have a

condenser of type BUBB, TFIXED or DTBB. If a single liquid
phase or bulk liquid phase is to be drawn from the condenser, it
becomes the OVHD product.
If there are two liquid phase condenser products, there are several
possible condenser configurations as described above under
General Information. Only one liquid phase product can be defined
by the OVHD keyword, and that phase is identified by the L1 or L2
product. If the second liquid phase is also a column product, it will
be identified with the L1PART, L2PART, L1DRAW or L2DRAW
statements described below.
value An estimate of the overhead product in moles per time
(default units) or liquid volume or weight per time. This rate is
required if it is not given on the BTMS keyword.
BTMS Identifies the bottoms product stream, sid.
value An estimate of the bottoms product in moles per time
(default units) or liquid volume or weight per time. This rate
is required if it is not given on the OVHD keyword.
LDRAW, Identifies liquid or vapor sidedraws respectively. An unlimited
VDRAW number of draws are permitted for all trays.
tno The draw tray number.
value The actual sidedraw rate unless the draw is declared as
a variable on the VARY statement, in which case “value” is an
estimate of the sidedraw rate. For variable streams, the rate may
be specified on a molar (default) or liquid volume or weight per
unit time basis (and on a gas volume basis for vapor
sidedraws). For fixed streams, the actual rate must be specified
on a molar basis and as the steam molecular weight is not known
at the time of the initial column estimate.
L1DRAW or L1DRAW and L2DRAW are total draws of the L1 and L2 liquid
L2DRAW or phases respectively. L1PART and L2PART are partial draws and
L1PART or are valid only for condenser product streams.
L2PART
tno The draw tray number. Must be equal to 1 for L1PART
AND L2PART. May equal any tray number for L1DRAW or
L2DRAW.
value For L1DRAW and L2DRAW, an estimate of the total draw

rate in moles per unit time (default units) or liquid volume or
weight per time. PRO/II will determine the actual amount
available for the total draw.
For L1PART and L2PART, the actual sidedraw rate in

moles per unit time unless the draw is declared as a variable
on the VARY statement in which case “value” is an estimate of
the sidedraw rate. For a variable stream, the draw rate may be
given in moles per unit time (default units) or liquid volume or
weight per time.
A special case exists when one liquid phase is totally drawn as a product, and the second
liquid phase is totally refluxed. Assuming the L1 phase is the overhead product, the
following diagram demonstrates how this configuration should be modeled.
The L1 phase reflux is included as part of the matrix, but its rate is specified as zero. In
this case the input file would show:
COLUMN
PARAMETER CHEMDIST, . .
PROD OVHD(L1)=A, . . . ,
SPEC REFLUX, PHASE=L1, VALUE=0.0
Figure 12.4-1
Example: Stream BT is the bottom product. Stream LD1 is the hydrocarbon phase
liquid product from the condenser and LD2 is the aqueous phase which is being
totally drawn. A bulk phase (or possibly single phase) stream is drawn from tray 5.
The overhead and L2DRAW rates are estimates. The LDRAW rate is fixed unless
varied on a VARY statement.
PROD OVHD(L1)=LD1, 121, L2DRAW=LD2, 1, 50, &
LDRAW=SD, 5 100, BTMS=BT

Not available with CHEMDIST.

Performance Specifications (usually required - Sections 10.4, 12.1)
The CHEMDIST algorithm uses the generalized specification format documented in
Section 10.4. Documentation for features pertaining to COLUMN specifications is
repeated in Section 12.1. The available specifications, shown below, are not as extensive
as the IO and SURE algorithms.
Table 12.4-1
Available Chemdist Specifications
Available Product and Internal Stream Specifications:
RATE(basis,unit)
RATE(basis,unit), COMP=i,j
FRACTION(basis), COMP=i,j
PERCENT(basis), COMP=i,j
PPM(basis), COMP=i,j
Additional Specifications
TEMP(unit), TRAY=tno
REFLUX(basis, L or L1 or L2)
RRATIO(basis, LD or LF or L1 or L2)
DUTY(idno, unit),
Available <operators>
RATIO (alias DIVIDE)
Tray Efficiencies (optional - 71)

EFACTOR value
Testing for VLLE Trays and Automatic Rerun

VLLECHECK CHECK=ON or OFF, TRAYS=value, SET=setid
PRO/II initially determines whether a tray can exhibit VLLE or VLE only behavior by
means of the METHOD set for that tray. If CHECK is set to ON, the CHEMDIST column
algorithm will automatically test for VLLE behavior on trays designated as VLE trays.
Depending on the entries specified on the VLLECHECK statement, PRO/II will
automatically switch trays from VLE to VLLE, one tray at a time, and re-solve the column.
The default values for these entries depends on context as shown in Table 12.4-2.
Table 12.4-2
Defaults for VLLECHECK Statement

CHECK TRAYS SET
VLLE trays specified in COLUMN ON 0 First VLLE
input. No VLLECHECK statement set from top.
given.
VLLE trays specified in COLUMN ON Number of First VLLE
input. VLLECHECK statement given. trays in set from top.
column
VLLE trays not specified in column OFF n/a n/a
input.
It is often desirable to initially designate a majority - if not all - trays below the condenser
as VLE trays, even when it is known that VLLE trays exist. The CHEMDIST algorithm
uses considerably more CPU time when it has to rigorously solve for two liquid phases on
each tray. As VLLE trays are added, the converged solution profiles from the VLE case
are used as the starting point for the new case. Convergence stability and CPU time are
often improved by this technique.
CHECK When set to ON, PRO/II will verify that each tray designated by the
user as a VLE tray does not, in fact, contain two liquid phases. A
warning will be issued for each tray on which PRO/II finds two liquid
phases. The VLLE METHOD set used for this test is given by the SET
entry.
TRAYS This entry controls how many trays will be switched, one tray at a time,
from VLE to VLLE. When VLLE trays are found in the CHECK=ON
test, the first tray from the top that fails the test will be switched to the
VLLE set. The column will then be re-solved.
If the VLLECHECK statement is not present, the default value for this
is 0 (i. e., automatic re-solving is turned off). When the VLLECHECK
statement is present, the default is the number of column trays (i. e.,
the algorithm will continue to solve until every tray that proves to
contain VLLE is in fact solved with a VLLE METHOD set).
It may be desirable to limit the number of trays that can be switched
from VLE to VLLE. For example, a column with a large number of
trays may require an inordinate amount of CPU time if VLLE trays are
found when none are anticipated or desired.
SET The setid entry is the METHOD set to be used by CHEMDIST for
VLLE testing and column re-solving. This set must support VLLE.
When the column is initially given at least one METHOD set that
supports VLLE, the default setid will be the VLLE set closest to the top
of the column. For most azeotropic distillation models, this will be the
condenser METHOD set. The setid entry does not overwrite the setid
given on the METHOD statements for trays that are initially specified

as supporting VLLE.

U U

homotopy statement, and should refer to the internal SPEC
number for that section. There can be at most one
homotopy statement for any internal SPEC.
ITERATIONS This entry requires a non-negative integer. This is the
number of homotopy iterations in which the final value for
the SPEC will be achieved.
HVARYFLAG The presence of this flag (HVARYFLAG or
HVARYFLAG=1) indicates that if the SPEC value stated on
the corresponding SPEC statement is altered by another
unit operation (typically a controller), then the homotopy
iterations are carried out to satisfy the altered SPEC as
well. In this case, the INITIAL value defaults to the last
converged value. The number of ITERATIONS is the same
as specified earlier. The default value for this flag is zero,
which turns off the HVARYFLAG option.
Examples
1: Methanol Dryer
A water/methanol stream is to be split in a 15 tray column operating at 760 mmHg. The
bottoms must have a composition of 0.015% methanol, and the overheads must contain
2.0% water. The CHEM initial estimate generator is used with an estimated reflux ratio of
1.5.

Figure 12.4-2
TITLE PROJECT=METHANOL DRIER
DIMENSION METRIC, PRES=MMHG
COMPONENT DATA
LIBID 1,METHANOL/2,WATER
THERMODYNAMIC DATA
METHOD SYST=NRTL
KVALUE
NRTL(K) 1,2,,36.2931,,293.2666,0.810170
STREAMS
PROP STREAM=1, PHASE=L, PRES=760, &
COMP=420/1010
UNITS
COLUMN UID=V-1,NAME=DRYER
PARA TRAY=15,CHEM
FEED 1,8
PROD OVHD=2V,420, BTMS=3V
PSPE PTOP=760
COND TYPE=BUBB, PRES=760
HEAT 1,1/2,15
SPEC STREAM=3V,PERCENT,COMP=1,VALUE=0.015
SPEC STREAM=2V,PERCENT,COMP=2,VALUE=2.0
VARY HEAT=1,2
ESTI MODEL=CHEM,RRATIO=1.5
2: Azeotropic Distillation
In the following example, the condenser is known to have two liquid phases. The L1 liquid
phase is split between product and reflux, the L2 phase is totally drawn. Two
thermodynamic data sets are used for this simulation: SET02 is capable of predicting
vapor-liquid-liquid equilibrium and is used for tray 1. SET01 is valid for vapor-liquid
equilibrium only and PRO/II will save CPU time by not attempting VLLE calculations for

trays 2 through 11. Note that the 14 value given with the L2DRAW keyword is an
estimated mole rate only. Since L2DRAW is a total draw of the L2 phase, PRO/II will
calculate the total draw available.
Figure 12.4-3
COLUMN UID=1,NAME=COLUMN
PARAM TRAY=11,CHEM
FEED 1,5,SEPARATE
PROD OVHD(L1)=1OL1,16,L2DRAW=1L2,1,14, &
BTMS=1BT
CONDENSER TYPE=BUBB,PRES=15.5
DUTY 1,1/2,11
VARY DUTY=1,2
PSPEC TOP=15.5,DPCOL=0.5
PRINT ITER=NONE, PROP=PART
ESTI MODEL=CHEM
SPEC STREAM=1BT,RATE(M),VALUE=968.7
SPEC TRAY=2,PHASE=L,RATE,VALUE=16.7961
METHOD SET=SET02,1/SET01,11

12.5 – REACTIVE
U
DISTILLATION
Keyword Summary
Unit Operation Category (Column Unit)
Assigning Reaction Sets to Column Trays (required)
RXTRAY REFERENCE=referenceset, {LOCAL=localset,
KPROCEDURE=procedureid,
KSUBROUTINE=subroutineid,} TRAY=i, {j}/ ...
Defining Tray Volume (optional)

LVOL(unit) i, value / ...
VVOL(unit) i, value / ...
Specification Variables (optional)

VARY VOLU, START= i, END= j
Controlling Reaction Parameters

RXPARAM {EQITER= 0 and {EQINIT= 1.0},
{VITER= 0 and VINIT= 1.0}

HOMOTOPY SPEC= i, INITIAL= value, ITER= 10, HVARYFLAG
Declaring Polymerization Components (optional)

RXPOLYMER(V) COMPONENT= i / ...
Including a NonVolatile Component in a Boiling Pot Reactor

(optional CHEMDIST only)
NONVOL COMPONENT= i,
CHARGE(M or WT)= value or
FRACTION(M or WT)=value
U U
Defining Reaction Parameters (optional)

DEFINE SET=setid, REACTION= reactionid, {COMPONENT=1},
<property>, AS <reference 1>, <property 1>,
{<operator>, <reference 2>, <property 2>}

Chapter 12.5 REACTIVE DISTILLATION 361

Reaction Data Category
Reaction Set Identification (required)
RXSET LOCAL=localsetid, NAME=text
Reaction Identification (required)

REACTION ID=reactionid, NAME=text, {COPTION= kinetics or
equilibrium or conversion}
Reaction Definition (At least 1 reaction is required in each

reaction set.)
press unit, time unit)=1.0,
TEXPONENT=0.0
KBASIS VAPOR=CONCENTRATION or PARTIAL
U U
PRESSURE or FUGACITY or
MOLEFRACTION or MASSFRACTION,
U U

(temp unit, weight unit, E=value, F=value, G=value, H=value
volume unit, press unit)
EBASIS VAPOR=CONCENTRATION or PARTIAL
U U
PRESSURE or FUGACITY or
MOLEFRACTION or MASSFRACTION,
LIQUID=CONCENTRATION or FUGACITY or
U U
ACTIVITY or MOLEFRACTION or MASSFRACTION

Reaction Conversion Data (optional)

CONVERSION(unit) C0=1.0, C1=0.0, C2=0.0
CBASE COMP=i

General Information
Reactive distillation allows rigorous modeling of reactions in a CHEMDIST or LLEX
column. Sets of reactions optionally defined in the Reaction Data Category of input may
be assigned to any stages in the column. Inline procedures, defined in the input file, may
be utilized in place of the built-in reaction kinetics to solve for reaction rates. Calculator
blocks may be used to supply various reaction parameters dynamically during flowsheet
calculations by using DEFINE statements. The reaction volume of column trays may be
varied to satisfy Generalized Performance Specifications. These flexible features make
reactive distillation a very powerful modeling tool.
Beginning with v5.0, the same reaction data section defined in section 10.8 is
used for all reaction units in the entire flowsheet.
Restrictions
In the current release of PRO/II, reactive distillation is available ONLY with the
CHEMDIST or LLEX column algorithms. Users wishing to use the reactive distillation
feature should be familiar with the general distillation facilities, described in Sections 12
and 12.1 of this manual. Additionally, users should become well acquainted with the
CHEMDIST and LLEX algorithms described in Section 12.4, Chemdist Algorithm, and
Section 12.9, Liquid-Liquid Extraction.
Some restrictions apply to the use of reactive distillation:
No liquid-phase reactions are allowed on stages having two liquid phases with the
CHEMDIST algorithm.
Solids cannot participate in any reactions.
No liquid-solid (LS) components are allowed.
No electrolyte thermodynamic methods are allowed (see ELDIST).
No mixed electrolyte/non-electrolyte thermodynamics are allowed.
Nonmolecular components are not allowed.
Features
Most of the major features of reactive distillation are summarized below. The Input
Description and Examples later in this section provide more complete information.
The RXTRAY statement assigns sets of reactions, defined in the Reaction Data Category,
to trays in the distillation column.
Mixed simultaneous kinetic, conversion, and equilibrium reactions, in the liquid and vapor
phases, may occur on any tray(s).
The CHEMDIST or LLEX column may be configured with a single tray, and in this
configuration may serve as a two-phase reactor model.

Setting the bottoms product rate to zero in a CHEMDIST column allows modeling a boiling
pot reactor, or a column situated on top of a boiling pot reactor. In either case, the boiling
pot reactor always occupies the bottom tray of the column.
A single nonvolatile component (often a catalyst) may be included in a boiling pot reactor
model.
The LVOL and VVOL statements allow specifying the volume of any stages in the column.
The volume of one or more reactive stages in the column may be used as a variable that
is manipulated to converge a Generalized Specification.
Homotopy analysis is available for studying the effects of permutating Generalized
Specifications and tray volumes. Systematically increasing tray volumes to very large
values is particularly useful for determining the equilibrium compositions for reversible
kinetic reactions.
To match plant data, reaction parameters can be manipulated parametrically by a
CONTROLLER, MVC or OPTIMIZER.
Vapor phase components that polymerize may be marked for more rigorous modeling of
their reactions.
Reactive distillation uses an elemental basis for enthalpy calculations.
Heterogeneous reactions, i.e., reactions involving reactants from different phases are
supported.
Important Usage Notes

All reactions must be defined in sets in the Reaction Data Category of input. If only one
reaction is present, it still must be defined within a reaction set.
All reaction identifiers within a given reaction set must be unique.
If the same reaction appears in more than one reaction set, the data must be repeated.
Within individual unit operations, assign reaction sets to column trays using RXTRAY
statements.
Input Description
Assigning Reaction Sets To Column Trays (required)
RXTRAY REFERENCE=referenceset, {LOCAL=localset,
KPROCEDURE=procedureid,
KSUBROUTINE=subroutineid,} TRAY=i, {j}/ ...
The RXTRAY statement is the only statement that assigns reaction sets to distillation
trays. Reactive distillation cannot occur unless at least one reaction set is assigned to at
least one tray in the column.

REFERENCE The identifier (containing up to 12 alphanumeric characters) of a
reaction set being assigned to a column tray. Each assigned set of
reactions must be defined in the Reaction Data Category of input.
Only reaction SETS are accessed; all individual reactions must be
defined within one or more reaction sets. Each reaction set may
define an unlimited number of reactions, and any number of reaction
sets may be assigned to any tray(s) in the column, without restriction.
LOCAL The identifier for the reaction set which is local to the column.
KPROCEDURE The identifier for the in-line procedure which is local to the column.
The id can be up to 8 characters in length, and must be the same as
defined in the PROCEDURE DATA section.
SUBROUTINE Identifier for the user-added subroutine written in FORTRAN. The
identifier supplies the subroutine name and can be either of ‘U1’, ‘U2’,
‘U3’, ‘U4’, or ‘U5’, corresponding to ‘UKIN1’, ‘UKIN2’, ‘UKIN3’,
‘UKIN4’, and ‘UKIN5’ respectively.
i, j Supplying both i and j defines a range of trays to which the reaction
set is assigned. If j is omitted, the reaction set is assigned to the
single tray specified by i.
Defining Tray Volume (optional)

LVOL(unit) i, value / ...
VVOL(unit) i, value / ...
The LVOL and VVOL statements respectively define the liquid and vapor volumes of
column trays on which reactions occur.
(unit) The dimensional units of the supplied volumes. The LVOL

statement accepts liquid volume units, while the VVOL
statement requests vapor volume units. If omitted, the
appropriate input units for volume are assumed.
I This is the number of the tray being assigned a volume.
value Liquid or vapor volume on tray i.
Beginning with v5.0, only the volumes of trays(i) specified in the LVOL and VVOL
statements have non-zero (or user-specified) values. Reacting volumes of all other trays
are zero.
For heterogeneous reactions, the reaction phase and volume are defined as
specified (or defaulted) in the PHASE keyword after respective reaction, e.g., if KPHASE
DEFAULT=L is specified for a heterogeneous reaction, then the reaction phase would be
liquid and the total conversion would be based upon the supplied value of LVOL.

Specification Variables (optional)
VARY VOLU, START= i, END= j
Tray volume may be used as a variable when performing a reactive distillation simulation.
For example, to specify the number of moles of a product when the required volume is
unknown, the volume may be VARYed to meet the specification.
VOLU This keyword indicates that the tray volume is to be varied. This
volume is any volume on the trays specified (i.e., vapor or liquid
volume, or both).
START The number of the first tray to have its volume varied.
END The number of the last tray to have its volume varied.
When the volume is varied for more than one stage, all stage volumes must be the same.
Controlling Reaction Parameters (optional)

RXPARAM {EQITER= 0 and {EQINIT= 1.0},
{VITER= 0 and VINIT= 1.0}
When equilibrium or kinetic reactions are present, some reaction products may not be
initially present in the feed streams, or the amount of these components may increase
significantly as the reactions progress. The Initial Estimate Generator (IEG) neglects the
contribution of reaction products when estimating the initial phase state. The reactive
distillation algorithm contains logic to introduce reaction products gradually, to ensure
smooth convergence.
The RXPARAM statement directly controls specific reaction parameters in a stepwise
manner to allow controlled introduction of reaction nonlinearities during the calculations,
the default values are acceptable for most situations. The EQITER and EQINIT entries
apply to any equilibrium reactions present, while VITER and VINIT apply to kinetic
reactions.
EQITER If any equilibrium reactions are present, this specifies the number of
calculational iterations used to scale up the correction factor from the
fraction specified by EQINIT to unity.
EQINIT This factor scales down the error computed for the equilibrium reactions in
the first EQITER iterations. This introduces the effect of the equilibrium
constant over the first few iterations, and so avoids very large changes to
the distillation column variables (e.g., mole fractions, etc.)
VITER VITER specifies the number of calculational iterations used to scale up the
tray volumes from the initial value (optionally supplied by VINIT) to the
actual volumes specified by the user on the LVOL and VVOL statements.
VINIT VINIT specifies the initial fraction of the actual volume used to compute the
reaction rate for the first iteration. During the first VITER iterations, the
volume used by the program is ramped from (actual volume * VINIT ) to the
actual volume.


homotopy statement, and should refer to the internal
SPEC number for that section. There can be at most one
homotopy statement for any internal SPEC.
ITERATIONS This entry requires a non-negative integer. This is the
number of homotopy iterations in which the final value for
the SPEC will be achieved.
HVARYFLAG The presence of this flag (HVARYFLAG or
HVARYFLAG=1) indicates that if the SPEC value stated
on the corresponding SPEC statement is altered by
another unit operation (typically a controller), then the
homotopy iterations are carried out to satisfy the altered
SPEC as well. In this case, the INITIAL value defaults to
the last converged value. The number of ITERATIONS is
the same as specified earlier. The default value for this flag
is zero, which turns off the HVARYFLAG option.
Declaring Polymerization Components

RXPOLYMER(V) COMPONENT= i / ...
This statement identifies components that polymerize as single-phase components.
Currently, only vapor phase components are supported (i.e., component liquid mole
fraction = 0.0). This facilitates modeling vapor phase polymerization reactions (e.g.,
reacting components that form dimers, hexamers, etc.).
PRO/II does not support vapor phase only components in the Component Data
Category of input, so the user must supply “dummy” liquid phase properties (as
appropriate) for any NONLIB components declared on the RXPOLYMER statement.
To include polymerizing NONLIB components in a reaction, enter them normally, as for

any other component, on the STOIC statement.
(V) This optional qualifier indicates that all components declared on

this statement are vapor phase only polymerizers. This is the
default.
COMPONENT Use this entry to supply the component ID numbers (assigned
in the Component Data Category of input) of any components
that are to be treated as vapor phase only components.
Modeling Two-Phase Reactors

The reactive distillation features in the current version of PRO/II are available only by
using the CHEMDIST and LLEX algorithms of the COLUMN unit operation. However,
these algorithms can be used to model a two-phase reactor by simply defining a column
that contains only one tray. Use the TRAY entry on the PARAM statement of COLUMN
input (see Section 12.1); then assign reactions to that tray.
Liquid phase isothermal operation of the reactor model is possible by choosing the TFIX
condenser option. See Condenser Type in Section 12.1.
Modeling a Boiling Pot Reactor

A CHEMDIST reactive distillation column configured with one tray can simulate a boiling
pot reactor, while a CHEMDIST distillation column with two or more trays can simulate a
column on top of a boiling pot reactor. To accomplish this, specify the bottoms product
flowrate to be 0.0. In all cases, the boiling pot reactor is modeled on the bottom tray of the
column.
Including a Non-Volatile Component in a Boiling Pot Reactor

(optional - CHEMDIST)
NONVOLATILE COMPONENT= i,
CHARGE(M or WT)= value or
U U
FRACTION(M or WT)= value

U U
The NONVOLATILE statement may be used to specify the amount or fraction of a single
nonreacting component present in the initial liquid charge of a boiling pot reactor. Often,
this is a liquid catalyst for the reaction. The component appears only on the bottom tray of
the column, and must not participate in any reactions that occur.
COMPONENT This entry must appear to identify the single nonvolatile species. i
refers to the component number assigned in the Component Data
Category of input.
CHARGE One of these entries is required to specify the amount of the
or nonvolatile species present in the reactor. CHARGE may be used to
FRACTION specify the quantity of the species present on either a mole or weight
(mass) basis. Alternatively, FRACTION can specify the amount of
nonvolatile component as a fraction of the total liquid phase present in
the reactor.
(M or WT) These optional qualifiers may be used with either the

CHARGE or FRACTION entry to specify the basis used to
supply the value. While the FRACTION entry is

dimensionless, CHARGE must be supplied using the dimensional
unit for weight declared on the DIMENSION statement of the
General Data Category of input, regardless of which basis is
used.
M indicates a mole basis, and is the default.
WT indicates a weight (mass) basis.
Defining Reaction Parameters (optional Section 10.5)

DEFINE SET=setid, REACTION= reactionid, {COMPONENT=1},
<property>, AS <reference 1>, <property 1>,
{<operator>, <reference 2>, <property 2>}
All the definable parameters listed for the COLUMN and LLEX in Table 10.3-3B are
available when modeling reactive distillation. Also, Table 12.5-1 lists additional
parameters that are available within any reactive distillation module. The values on the
DEFINE statements supercede all others. The following entries are available to further
identify the reaction quantities that are being defined. The remainder of the DEFINE
statement functions as documented in Section 10.5.
SET This entry is required to identify the reaction set of the reaction to
be altered by the DEFINE statement. The setid argument is the
set ID of a LOCAL set defined in this unit operation.
RXN This entry is required to identify the reaction to be altered by the
DEFINE statement. The reactionid argument is the reaction ID of
a local reaction defined in the selected reaction set.
COMP The COMP entry is required when defining a stoichiometric
coefficient, kinetic order or equilibrium exponential factor;
otherwise, COMP is not needed.
<property> This identifies the reaction property being defined, and may be
any keyword listed in Table 12.5-1. This entry is required.
Examples: DEFINE SET= SET1, REACTION=RXN1,PEXP, AS, 200.
DEFINE SET= SET2, REACTION=RXN1,PEXP, AS &
CALC=CAL1, RESULT(1)
DEFINE SET= SET3, REACTION=RXN2,COMP=2, &

STOIC, AS, CALC=CAL1, RESULT(2)

Table 12.5-1
Additional Reactive Distillation DEFINE Properties
PEXPONENT Kinetic pre-exponential factor
ACTIVATION Kinetic activation energy
TEXPONENT Kinetic temperature exponent factor
KORDER Kinetic reaction order of a component
A, B, C, D, E, F, G, H Coefficients for calculating equilibrium constant
EEXPONENT Component exponential factor in equilibrium constant
C0, C1, C2 Coefficients for calculating reaction conversion
Defining a Local Reaction Set

RXSET LOCAL = localsetid, {NAME=text}
The RXSET in the reactive distillation unit is used to provide additional reaction data or to
override certain reaction data that are copied to this unit from the REFERENCE set
specified in the RXTRAY. The REFERENCE set can only be defined in the reaction data
(RXDATA) section. The LOCAL set is a local reaction set that can only be created,
defined, and used in the unit where it is defined.
LOCAL This entry is required to supply an identifier for the local

reaction set. This identifier must be unique among all reaction
sets in the entire flowsheet.
NAME An optional descriptive name containing up to 40 alphanumeric
characters, including blanks. The name is used only as an
identification aid in the results printout, and therefore does not
need to be unique.
Defining a Local Reaction

REACTION ID = reactionid, {NAME = text,
COPTION = conversion, equilibrium or conversion}
When a LOCAL set is created, all reaction data in the REFERENCE set are copied over to
the local set as the default values. The local set will have the same number of reactions
with same reaction identifiers as that in the REFERENCE set. These reactions are local to
the unit where the local set is defined. To provide additional reaction data, override the
defaulted reaction data, or select the type of reaction data, the data must be specified
under the corresponding REACTION statement.

ID This entry is used to identify the reaction to be modified. It must
have the same ID as the corresponding reaction in the
REFERENCE set.
NAME An optional descriptive name containing up to 40 alphanumeric
characters, including blanks. The name is used only as an
identification aid in the results printout, and therefore does not
need to be unique.
COPTION This entry specifies the type of reaction data that will be used in
the reaction calculations. Depending on the availability of the
reaction data being provided for this reaction the hierarchy of the
defaulted type is kinetics, equilibrium and then conversion. Only
the selected or defaulted type of data will be used in the reaction
calculations. When multiple types of reaction data are available,
the user is encouraged to specify this option.
Defining Kinetic and Equilibrium Reaction Data

The keywords for defining the kinetic and equilibrium reaction data for a local reaction are
the same as that for a global reaction defined in the reaction data (RXDATA) section.
Please refer to section 10.8 for detailed information.
Defining Conversion Data

CONVERSION(unit) C0 = 1.0, C1 = 0.0, C2 = 0.0
CBASE COMP = i
Conversion data is considered as an unit-specific data and is allowed to be specified only
in the unit operation. It is not allowed to be specified in the reaction data (RXDATA)
section.
CONVERSION(unit) One CONVERSION statement is allowed for each

reaction. The fraction of the base (CBASE) component
reacted is given by:
Fraction converted = C0 + C1*T + C2*T2
CBASE This entry identifies the base component used in the
definition of reaction conversion. The component must be
involved in the reaction as a reactant (not a product).
The conversion is based upon the total (combined liquid and vapor) phase
composition, i.e., not liquid or vapor phase alone.

Examples
1: Basic Reactive Distillation
The following example presents a complete input file showing all categories of input data
required to perform reactive distillation.
TITLE PROJ= RXDIST, PROB= 75.1, USER=SIMSCI, DATE= FEB 1997
DIME SI, PRES= BAR, TEMP=C
SEQUENCE SIMSCI
COMP DATA
LIBID 1, IBTE / 2, MEOH / 3, MTBE / 4, TBA / 5, 1OCTENE / 6, H2O
THERMO DATA
METHOD SYSTEM = NRTL, SET=NRTL01
STREAM DATA
PROP STREAM= FEED, PHASE= L, PRES= 1.0, COMP(M,KGM/H)=1, 500/2,500
RXDATA
RXSET ID= MTBELIB
REACTION ID = MTBE
STOIC 1, -1 / 2, -1 / 3, 1
KINETICS PEXP (C,KG,M3,BAR,HR)= 1.4E2, ACT= 1.2E6, TEXP= 0.5
REACTION ID = IBTE
STOIC 1, -2 / 5, 1
RXSET ID= TBA
REACTION ID=TBA
STOIC 1, -1 / 4, 1 / 6, -1
EQUILIB A=10
EPHASE DEFAULT=L
REACTION ID = IBTE
STOIC 1, -2 / 5, 1
UNIT OPERATIONS
CALCULATOR UID = CAL1
PROCEDURE
R(1) = 0.90
R(4) = 0.10
RETURN
COLUMN UID = RXD1
PARAM TRAY = 10, CHEMDIST= 30
FEED FEED, 3
PROD OVHD(M)= TOP, 300, BTMS(M)= BOTM, 699.998, SUPERSEDE=ON
COND TYPE= BUBBLE, PRES= 1.013
DUTY 1,1,,CONDENSER
DUTY 2,10,,SIDEHC2
PSPEC TOP= 1.0135
PRINT PROPTABLE=PART
ESTI MODEL= CHEM, RRATIO(L)=4
SPEC ID=COL1SPEC1, STREAM=TOP, RATE(KGM/H),TOTAL,WET, &
VALUE=300

SPEC ID=COL1SPEC2, RRATIO, PHASE=L, VALUE=4
VARY DNAME=CONDENSER,SIDEHC2
VLLECHECK CHECK=OFF
LVOL 1,1/2,1/3,1/4,1/5,1/6,1/7,1/8,1/9,1/10,1
RXTRAY REFERENCE=MTBELIB, LOCAL=LSET01, TRAY=1,5
RXTRAY REFERENCE=TBA, LOCAL=LSET02, TRAY=6,10
RXSET LOCAL=LSET01
REACTION ID=MTBE, COPTION=KINETICS
KINETICS PEXP(C,KG,M3,BAR,HR)
REACTION ID=IBTE, COPTION=CONVERSION
CONVERSION C0=0.9
CBASE COMP=1
RXSET LOCAL=LSET02
REACTION ID=TBA, COPTION=EQUILIBRIUM
REACTION ID=IBTE, COPTION=CONVERSION
CONVERSION C0=0.4
CBASE COMP=1
END
2: Reactive Distillation Using An In-Line Procedure

TITLE PROJ= RXDIST, PROB=75.2, USER= SIMSCI, DATE= OCT 1991
DESC 3ESTERIFICATION REACTION, FORWARD AND REVERSE
DESC REACTIONS
DIME SI, PRES= BAR, TEMP= C
SEQUENCE SIMSCI
COMP DATA
LIBID 1, ACETIC / 2, ETHANOL / 3, WATER / 4, EACTAT
THERMO DATA
METHOD SYSTEM= NRTL, TRANS= PETRO, SET=NRTL01
STREAM DATA
PROP STREAM= 1, PRES= 1.013, PHASE= L, RATE(M)= 6.468, &
COMP(M)= 1, 0.4963 / 2, 0.4808 / 3, 0.029 / 4, 0.0001, NORMALIZE
RXDATA
RXSET ID= SET01, KINETICS(PROCEDURE)=PK1
REAC ID= REAC01
STOIC 1, -1 / 2, -1 / 3, 1 / 4, 1
KINETIC PEXP (C,KG,M3,BAR,SEC)= 483.33, ACTIV= 59.4451
KPHASE DEFAULT= LIQUID
RXSET ID = SET02, KINETICS(PROCEDURE)=PK1
REAC ID= REAC02
STOIC 1, 1 / 2, 1 / 3, -1 / 4,-1
KINETIC PEXP(KG, M3, SEC)= 123.0, ACTIV(J/G)= 59.4451
KPHASE DEFAULT= LIQUID
PROCEDURE DATA
PROCEDURE (KINETIC) ID= PK1, NAME= KINETIC1
PARAMETER MAXNOR= 10
CODE
RRATES(1) = PREEXP(1) * EXP(-ACTIVE(1) * 1000.0/ &
(RGAS * RTABS)) * XLCONC(1) * &

XLCONC(2) * 3600.0
RRATES(2) = PREEXP(2) * EXP(-ACTIVE(2) * 1000.0 / &
(RGAS * RTABS)) * XLCONC(3) * &
XLCONC(4) * 3600.0
DRDT(1) = RRATES(1) * ACTIVE(1) *1000.0 / &
(RGAS * RTABS * RTABS)
DRDT(2) = RRATES(2) * ACTIVE(2) * 1000.0/ &
(RGAS * RTABS * RTABS)
DRDX(1,1) = RRATES(1) / XLIQ(1)
DRDX(3,1) = 0.0
DRDX(4,1) = 0.0
DRDX(1,2) = 0.0
DRDX(2,2) = 0.0
ISOLVE = 1
RETURN
UNIT OPERATIONS
COLUMN UID= RXD1
PARAMETER TRAY= 13, CHEMDIST=20,
FEED 1, 6
PRODUCT OVHD(M)= DIST, 1.248, BTMS(M)= BOTM, SUPERSEDE=ON
CONDENSER TYPE= BUBBLE
DUTY 1,1,,CONDENSER
DUTY 2,13,,SIDEHC2
PSPEC PTOP= 1.013, DPCOL= 0
ESTIMATE MODEL=CHEM, RRATIO(L)=10
SPEC ID=COL1SPEC1, RRATIO, PHASE=L, VALUE=10
SPEC ID=COL1SPEC2, STREAM=DIST, RATE(KGM/H),TOTAL,WET, &
VALUE=1.248
VARY DNAME=CONDENSER,SIDEHC2
TFLOW TOTAL (L)= TR6, 6
VLLECHECK CHECK=OFF
LVOL 1,0.3/2,0.3/3,0.3/4,0.3/5,0.3/6,0.3/7,0.3/8, &
0.3/9,0.3/10,0.3/11,0.3/12,0.3/13,1.0
RXTRAY REFE=SET01,LOCAL=LSET01, TRAYS= 1, 13
RXTRAY REFE=SET02,LOCAL=LSET02, TRAYS= 1, 13
RXSET LOCAL=LSET01
REACTION ID=REAC01, COPTION=KINETICS
RXSET LOCAL=LSET02
END

3: Reactive Distillation Using a Liquid-Liquid Extraction Column
Phenol is to be recovered in a 4 tray extractor using benzene from a waste water stream
also containing acetic acid and ethanol. The acetic acid reacts with the ethanol to yield
10% ethyl acetate.
TITLE PROJECT=MANUAL,PROBLEM=LLEXRXD
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,BENZENE/2,PHOH/3,H2O/4,BENZOIC/5, ACETIC/ &
6, ETHANOL / 7, EACTAT
THERMODYNAMIC DATA
METHOD SYSTEM(VLLE)=NRTL, PHI=IDEAL, &
SET=SET01, DEFAULT
KVALUE(VLE) FILL=UNIF
KVALUE(LLE) FILL=UNIF
METHOD SYSTEM=NRTL, PHI=IDEAL, &
SET=SET02
KVALUE(VLE) FILL=UNIF
STREAM DATA
PROP STREAM=1, TEMP=86, PRES=21.3, PHASE=M, RATE(M)=162.6, &
COMP(M)=1,0.1001/2,1.9059/3,160.6/4,0.0002/5,5.3/ &
6,5.3, NORMALIZE
PROP STREAM=8, TEMP=86, PRES=21.3, PHASE=M, RATE(M)=60, &
COMP(M)=1,218.898/2,0.0022/3,1.1,NORMALIZE
NAME 1,WASTEWATER/8,SOLVENT
RXDATA
RXSET ID=SET01
REACTION ID=REAC01
STOI 3,1/5,-1/6,-1/7,1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=1, ACTIVATION=59.445
KORDER 5,0/6,0
UNIT OPERATIONS
CALCULATOR UID=RXCA
DEFINE P(1) AS STREAM=1,COMP=5,RATE (LBM/H), WET
PROCEDURE
R(1) = P(1)*0.1
RETURN
COLUMN UID=T1,NAME=LLEX
PARAM TRAY=4,LLEX=50,DAMP=0.6
FEED 1,1/8,4
PROD OVHD (L1,M) =3, 64, BTMS (M) =2,162 , SUPERSEDE=ON
PSPEC PTOP=60,DPCOL=10
TOLERANCE COMPONENT=0.0005, EQUILIBRIUM=0.0005
LVOL 1,1
RXTRAY REFE=SET01,LOCAL=LSET01,TRAYS=1,1
RXSET LOCAL=LSET01

KINETICS PEXP(F,LB,FT3,PSIA,HR)
DEFINE SET=LSET01,RXN=REAC01, PEXP AS CALC=RXCA, R(1)
END

12.6 – ENHANCED IO
U
ALGORITHM
PRO/II’s Enhanced IO (EIO) algorithm is a remarkably fast, versatile and robust
calculational procedure that combines the speed of the IO algorithm with several useful
features previously only available in the SURE algorithm, i.e:
Water decant on any tray
Total draws
A listing of all valid Enhanced IO algorithm keywords is given below in the Keyword
Summary. Features unique to the Enhanced IO algorithm are described in more detail
below under the Input Description. Features common to all algorithms are given in Section
12.1, Column Input.
Keyword Summary

ENHANCEDIO=15,
{FREEWATER=ON}, ERRINC=1.0,

SUPERCEDE=ON or OFF
U U
PRODUCT OVHD(M or LV or WT, unit)= sid, value,

U U

U U
{LDRAW(M or LV or WT, unit)= sid, tno, value, TOTAL/...,},

U U
{VDRAW(M or LV or WT or GV, unit)= sid, tno, value, TOTAL/...,},

U U
{WATER(M or LV or WT, unit)= sid, 1, value}

U U


Chapter 12.6 ENHANCED IO ALGORITHM 377

Section 12.1)
{PRES(unit)=value},


QSPEC(unit) =tno, value/ ...
or
Reboiler Type (optional)

REBOILER TYPE=KETTLE or THERMOSIPHON,
U U
BAFFLE=NO or YES,
U U

Requires at least one of RATE, LFRAC, TEMP or DT.
PA FROM=tno1, TO=tno2, PHASE= L or V,
B B B B U U
{PRES(unit)=value},
U U

U U
DT(unit)=value},

or
If a thermosiphon reboiler is attached to the column, the pressure at tray N is the

same as the pressure at tray N-1. For a kettle reboiler the pressures at tray N and tray N-1
may be different.

U U
REFINING or CHEM

(for IO and Enhanced IO)
U U tno, value/...}
{CESTIMATE(L or V) U U tno, x1, x2,.../...}
B B B B

WET or DRY, U U

WET or DRY, U U

WET or DRY, U U



statement – Section 12.1)
TBP Cutpoint Specification (optional)

VALUE=value
PORDER sid,...
Tray Efficiencies (optional – Section 12.1)

TEFF(MURPHREE or EQUILIBRIUM or VAPORIZATION)
tno, value/...
tno, i, value/...
EFACTOR value
Print Options (optional - ignored in sidestrippers – Section

12.1)
U U
PROPTABLES=BRIEF or PARTIAL or ALL,

U U

U U
{COMPOSITIONS=M and/or WT and/or LV and/or GV},


{SFACTOR}

{<operator>,

FZONE TRAY=tno,
VBYPASSFRC=0.99

U U

U U
PASSES=1, SF=1.0,
MATERIAL(VALVE)=SS,
B B B B
{DPCALC=1.0}
DPSECTION(unit)=value or DPPACK(unit,unit)=value},
FLMETHOD or
U U
FLAPPROACH=0.5
or
CSMETHOD,
CSAPPROACH=0.88
{DIAMETER(unit)=value}

TFLOW {NET(V or L)=sid,tno/..., TOTAL(V or L)=sid,tno/...,
PA(V or L)=sid,tno1, tno2/...
B B B B

NET The net vapor or liquid flow from one tray to the next. For
example, NET(L) specifies the pseudo stream to be the liquid
leaving tray “tno”, not including product or pumparound
draws.
TOTAL The total vapor or liquid flow leaving a tray, including product
and pumparound draws.
PA The liquid or vapor draw to a pumparound. tno1 is the draw
tray number, and tno2 is the return tray.
TSFEED The feed to the reboiler. This stream has the composition,
temperature, and pressure of the liquid at the surface of the
sump. To simulate a rigorous thermosiphon reboiler using
HXRIG, the static head must be added via a flash.
TSLIQUID The liquid stream from the reboiler. This is the liquid stream
TSVAPOR The vapor stream from the reboiler. This is the vapor stream

TOLERANCE EQUILBRIUM=0.001, ENTHALPY=0.001, KVALUE=0.001


General Information
Methodology
The Enhanced IO algorithm is an “Inside/Out” distillation solution method. It uses stripping
factors as the iteration variables. This serves to accelerate the solution, because the
column is always in mass balance. In the inner loop, simplified thermodynamic models are
used to solve the column heat balances and specifications. When the inner loop has
converged, the simplified thermodynamic models coefficients are updated in the outer
loop and a convergence check is made. The column is considered solved when the
thermodynamic models are no longer changing, and the bubble point equations are
satisfied.
The first time that the inner loop is entered, the Jacobian matrix is calculated rigorously.
After this, the Enhanced IO algorithm uses a method to approximate the inverse to the
Jacobian matrix, and thus avoids a time consuming matrix calculation for each inner loop
iteration. This matrix approximation technique combined with the simplified
thermodynamic models gives the IO algorithm its quick execution speed.
Column Merging
The IO and Enhanced IO algorithms are the only PRO/II distillation methods capable of
merging side columns and main-fractionator together for simultaneous solution. The
advantages to this are
faster execution
more flexible product specifications
For example, if it is necessary to have both a D86(5%) specification as well as a
D86(95%) specification on a sidestripper product, the SURE algorithm requires a multi-
variable controller (MVC) unit operation wrapped around the main-fractionator/sidestripper
pair of columns. The Enhanced IO algorithm can solve this problem by specifying the
products directly. Furthermore, the IO Column will solve using substantially less computer
time than the SURE column iterative calculation with the MVC.
To take advantage of column merging, the following conditions must exist:
Both the COLUMN and SIDESTRIPPER/SIDERECTIFIER must use the IO method.
For a SIDESTRIPPER, at least one main-fractionator LDRAW product must feed the top
tray of the SIDESTRIPPER. The overhead vapor must return to the main-fractionator.
Condensers are not permitted on SIDESTRIPPERS.
For a SIDERECTIFIER, at least one main-fractionator VDRAW product must feed the
bottom tray of the SIDERECTIFIER. The bottom liquid must return to the main-
fractionator.
The Enhanced IO algorithm supports the modeling of thermosiphon reboilers with and
without baffles by using the REBOILER statement. In this way, the reboiler is modeled as

two theoretical stages, and the liquid and vapor flows in the bottom of the column are
more accurately simulated.
Limitations
Except for the decantation of pure water from the condenser, the Enhanced IO algorithm
does not support two liquid phases. Thus, the KVALUE(LLE) designation in the
METHODS setid is ignored. To rigorously solve three-phase distillation problems, use the
CHEMDIST.
Input Description
Section 12.1, Column Input, describes most of the keyword input for the IO algorithm. The
exceptions to this are the PARAMETER and REBOILER statements which contain
features unique to the Enhanced IO algorithm, the FZONE statement for flash zone
calculations and the TBP cutpoint specification option. All of these are described below.
Special notes on Enhanced IO keyword input concerning products, column pseudo
products, pumparounds, composition estimates, and performance specifications are also
given below.

ENHANCEDIO=15,
{FREEWATER=ON}, ERRINC=1.0,
algorithm, and a number of parameters relating to the solution algorithm chosen.
Anywhere from one to unlimited trays are allowed. PRO/II
requires the theoretical number of trays, unless the tray
efficiency feature is invoked, in which case the actual number
of trays is entered.
ENHANCEDIO The Enhanced IO algorithm is selected. Supplying an integer
argument specifies the number of iterations. The default is 15
Enhanced IO iterations.
FREEWATER This option is relevant only for water-hydrocarbon systems. In
such systems, excess free water is normally allowed to appear
only at the condenser or tray 1 and is automatically decanted.
When using the FREEWATER option, a separate free water
phase may exist on any or all trays in the column. In the latter
case, free water can be removed separately on trays with
designated water traps as WATER product streams.

ERRINC Values greater than 1.0 allow inner loop errors to increase
during solution. This is useful in solving certain difficult
columns. Changing this value may result in a change in
solution path, but will still result in rigorous solutions that
satisfy the specifications and balances within tolerance. Refer
to PRO/II Technical Bulletin Number 1 for more information.
DAMP Supplying a damping factor of less than 1.0 tends to increase
the likelihood of convergence at the expense of CPU time.
Heavy-ends refinery fractionators and non-ideal chemical
columns are good candidates for damping.
Heavy-ends fractionators are detected automatically if
petroleum pseudocomponents are present and the fractionator
has at least one sidestripper. The damping factor for these
systems defaults to 0.8.
Example: A column with 25 trays is to use the Enhanced IO algorithm with a
maximum of 12 iterations. A damping factor of 0.7 is to be used
PARAMETER ENHANCEDIO=12, TRAYS=25, DAMP=0.7

FZONE TRAY=tno,
VBYPASSFRC=0.99
The FZONE statement models a fired heater added to a tray in a distillation column. The
efficiency of this fired heater may be supplied on this statement. In addition, the fraction of
liquid or vapor bypassing the heater may also be supplied on the FZONE statement. Any
number of FZONE statements are allowed.
Each FZONE statement represents one theoretical stage in the column. The user
should revise the number of theoretical stages to account for each flash zone defined.
TRAY This required keyword specifies the location of the feed to the
flash zone.
HEATEREFFI This optional keyword supplies the fired heater efficiency as a
fraction less than or equal to 1.0. The fired duty of the heater
is equal to the absorbed duty (i.e., equal to the tray duty as
calculated by the column) divided by the heater efficiency. A
default value of 0.85 is used if a value is not supplied.
LBYPASSFRC, These keywords specify the fraction of liquid and vapor
VBYPASSFRC bypassing the flash zone. The values supplied should be
between 0.0 and 0.999. A default value of 0.99 is used for
LBYPASSFRC, while a default value of 0.99 is used for
VBYPASSFRC if these keywords are not provided.

In Figure 12.6-1, 99.9% of the vapor bypasses the flash zone at tray 10, while none of the
liquid is bypassed. The efficiency of the fired heater is 90%. The FZONE statement is as
follows:
FZONE TRAY=10, HEAT=0.90, LBYPASSFRC=0.0, &
VBYPASSFRC=0.999
Figure 12.6-1 Flash Zone Example, n=10

Note in Figure 12.6-1 that all the liquid from tray 9 (n-1) passes through the flash zone
region tray 10 (n), before continuing to tray 11(n+1) below the flash zone. However, 99.9%
of the vapor up from tray 11(n+1) bypasses the flash zone tray 10(n) and continues
instead directly to tray 9 (n-1).
Feeds and Products

Except for a pure water decant from the condenser, the Enhanced IO algorithm does not
support two liquid phases. L1DRAW and L2DRAW are invalid keywords on the
PRODUCT statement. L1 and L2 are invalid as an argument to the OVHD keyword.

U U
U U
U U
The REBOILER statement is used to define thermosiphon reboilers with or without baffles
and kettle reboilers. Only one reboiler per column is allowed. The reboiler must be

associated with a heater which must be defined on the bottom stage of the column on the
DUTY statement. If the REBOILER statement is present, no pumparound to and from the
reboiler stage is allowed.
TYPE Defines the reboiler type. PRO/II supports two reboiler types
– kettle (or once-through thermosiphon), which is the default,
and thermosiphon.
BAFFLE Defines the presence or absence of a bottoms baffle. NO
indicates that no bottoms baffle is present. This is the default.
For a column with a bottoms baffle, and the reboiler return
liquid returning to the reboiler sump, for all practical purposes,
the pressure at the surface of the reboiler and bottoms sumps
is the same, even though there is a small static head
difference. The vapor leaving the bottoms sump is then
practically zero. To model this reboiler then (also known as a
circulating thermosiphon), the BAFFLE=NO option should be
chosen. YES should be selected when the reboiler return
liquid is returned to the bottoms sump. This type is also
known as a preferential thermosiphon. Figures 12.6-2 and
12.6-3 illustrate the types of thermosiphon reboilers available.
RF, RL, and RV are the reboiler feed and liquid and vapor
B B B B B B
flows from the reboiler respectively. For both cases, the

reboiler return is flashed at the reboiler exit nozzle at the
sump pressure. Thus, for the BAFFLE=YES case, the
bottoms product is identical to the reboiler liquid phase
product, RL. B B
RATE The recirculation rate of the thermosiphon reboiler on a mole

(M-default), weight (WT), or standard liquid volume (LV)
basis.

Figure 12.6-3 Thermosiphon Reboiler, BAFFLE=YES
LFRAC The liquid fraction of the thermosiphon reboiler return stream

(LV) basis. The default value is 0.5 when this keyword is
given without a supplied value.
VFRAC The vapor fraction of the thermosiphon reboiler return stream
(LV) basis.
LFEST The estimate of the reboiler liquid product to reboiler feed
VFEST The estimate of the reboiler vapor product to reboiler feed
It should be noted that the thermosiphon reboiler counts as two theoretical stages, one for
the reboiler return, and another for the bottom sump (bottom product stage).
Please note that this manual makes a distinction between the words “stage” and “tray”.
The reboiler return stage is not modeled as a tray, but is, in effect, modeled as a non-
adiabatic flash of stream Rf. The heat input is simply the reboiler duty. Likewise, the
B B
reboiler sump stage can be thought of as a mixer followed by an adiabatic flash. The
mixer combines the spillover from the bottoms sump, Lo, with the liquid downflow from the

tray above. The flash accounts for any changes in equilibrium due to the mixing of two
streams at potentially different temperatures and compositions. For the baffled case, the
reboiler sump does not count as an additional theoretical stage.
Example: A column with a thermosiphon reboiler is to be modeled. The reboiler return
liquid is to be returned to the bottoms sump, and the liquid fraction of the reboiler return
stream is specified as 0.52 on a weight basis.
REBOILER TYPE=THERMOSIPHON, BAFFLE=YES,
LFRAC(WT)=0.52

The Enhanced IO algorithm does not support TOTAL pumparounds.
Performance Specifications
COLUMNS and SIDESTRIPPERS or SIDERECTIFIERS are merged and solved as a
single column. The number of SPEC statements may differ from the number of variables
on the VARY statement for each individual column, but the total number of SPEC
statements must equal the total number of variables for the entire merged column.
TBP Cutpoint Specification (optional - available with IO only)

VALUE=value
PORDER sid,...
The specification statement specifies a column product stream in terms of the TBP
distillation of a reference stream (typically the column feed).
STREAM This keyword is used to specify the stream to be SPEC’d.
sid The stream id.

CUTPOINT This keyword specifies the cutpoint option.
tunit The temperature units may be provided using this

qualifier. If this entry is not supplied, the default
problem input units will be used.
REFSTRM This keyword is used to specify the reference stream.
sid The stream id.

VALUE This keyword supplies the cutpoint value.
value The specified TBP cutpoint value.

PORDER sid,...
The PORDER statement lists the column product streams from the lightest to heaviest
product.
sid The stream id. The streams should be listed
in the order of lightest to heaviest product, up
to and including the stream being SPEC’d by
the CUTPOINT specification. The remaining
column products may also be listed, but are
not required.
Example
1: In this example, the free water can be drawn off of every tray, wherever it naturally
forms.
TITLE PROJECT=P2V5BETA, PROBLEM=ENHANCED, USER=SIMSCI,
DATE=AUG97
DIME SI, TEMP=F, PRESS=PSIA, TIME=SEC
TOLERANCE STREAM=0.001
SEQUENCE SIMSCI
CALCULATION TRIALS=100, RECYCLE=ALL
DUMP COLU=12
COMPONENT DATA
LIBID 1,H2O/2,C2/3,C3/4,IC4/5,NC4/6,IC5/7,NC5
THERMODYNAMIC DATA
METHOD SYSTEM=PR
WATER SOLUBILITY=KERO
STREAM DATA PROPERTY STREAM=S1, TEMPERATURE=100, PRESSURE=300,
PHASE=M, &
COMPOSITION(M)=1,50/2,50/3,50/4,50/5,50/6,50/7,50
UNIT OPERATIONS
COLUMN
PARA TRAY=5, ENHANCED, FREEWATER
FEED S1,3
PROD OVHD=S18,50,BTMS=S15,LDRAW=S16,1,140, &
WATER=S4,1,8 /S6,2,6 / S8,3,34/S12, 4,1/S14,5,1
PRES 1,200/5,200
CONDENSER TYPE=MIXED
VARY DUTY=1,2,DRAW=S16
SPEC STREAM=S18,RATE,VALUE=50
SPEC STREAM=S15, RATE, VALUE=150
SPEC REFLUX, VALUE=300
PRINT ITER=ALL
LIQU 1, 300/2, 275 / 3, 670 / 4, 700 / 5, 150
VAPO 1, 50 /2, 450 / 3, 440 / 4, 520 / 5, 550
TEMP 1, 93 / 2, 150 / 3, 175 / 4, 200 / 5, 230
END

12.7 – COLUMN
U
HYDRAULICS
The IO, SURE, and CHEMDIST distillation algorithms fully support tray hydraulic
T T
calculations. These include tray sizing and rating calculations for trayed columns, and
structured or random packed column pressure drop and HETP calculations. The keyword
input described below is included as part of the COLUMN input when hydraulic
calculations are requested.
Note that the rate-based RATEFRAC® Software algorithm requires at least one section ofP P
tray rating, tray sizing, or packing to invoke non-equilibrium calculations. Trays or packed
segments that are not included in a sizing, rating, or packed section are treated as
equilibrium stages by RATEFRAC® routines. P P
Keyword Summary
Tray Sizing and Rating (optional)

U U
SPACING(TRAY, inch) = 24.0,

or

U U
U U
{ DIAMETER(VALVE or SIEVEHOLE or CAP, uflen) = defvalue,

{ USID = text*72, } CASE = text*72 }

1 ®
{ DPCALC = 1.0 } (not supported by RATEFRAC Software)
P P P P
1
P P DPCALC is required to access the results of tray hydraulic calculations
(e.g., downcomer backup) from a controller or other unit operation.
{ } entries are optional ( ) keyword qualifiers alues given are defaults

Chapter 12.7 COLUMN HYDRAULICS 391

®
(additionally, the following are available for RATEFRAC routines only) P P

U U U U

WEIRHEIGHT(uflen) = value,
WLEN(uleng) = value (Weir Length)
ESTDIAM(uflen) = value, VAPVOLPCT(upct) = value,}

or HMETHOD=FRANK or NORTON,
U U

or DPPACK(upres,uleng) = value,
U U
FLAPPROACH=0.5
or
CSAPPROACH = 0.88 }
Note: DPMETHOD is ignored for Koch-Glitch random packings. Built-in packing

(FACTOR ) factor for Koch-Glitch packing cannot be changed through keyword input.
®
Structured Packing (not for RATEFRAC Software)
P P
SULZER = type, or
FLEX=type, or KGWIREGAUZE=type, or INTALOX=type,
{ HEIGHT(uleng) = value or HETP(uleng) = value,}
{ DIAMETER(uflen)=value or CAPACITY=value (>0.0 to 100.0) or
FLAPPROACH=value (>0.0 to 1.0) }

RATEFRAC® Random Packing

P P

B B B B
U U

U U
®
RATEFRAC routine Structured Packing
P P P P
FLEX = type,
or INTALOX = type,
U U

U U


General Information - Tray Sizing and Tray Rating
Tray sizing or rating may be performed for new and existing columns with valve, sieve,
and bubble cap trays. All valve tray calculations use the methods of Glitsch1. Loading
P P
and flooding calculations for sieve and bubble cap trays are estimated by derating valve
tray calculations by 5 and 20 percent respectively. Other tray hydraulic information is
2
determined for sieve trays using the methods of Fair and for bubble caps with the
P P
3
methods of Bolles . P P
Columns may be divided into a maximum of 70 sections when running PRO/II via
keywords.
For rating calculations, within each section all trays are of the same type with the same
mechanical configurations. Each section, however, is rated independently from any
other section and may consist of trays of an entirely different type and mechanical
configuration. A value for tray diameter (i.e., DIAMETER( TRAY ) = value) is required
when requesting tray rating calculations.
For sizing calculations, the diameter of each tray is adjusted to meet the flooding factor
criterion. The entire section is then re-rated at the largest required diameter. As with
rating calculations, different sections may consist of trays of an entirely different type
and mechanical configuration. A value for tray diameter (i.e., DIAMETER( TRAY ) =
value) is not allowed when requesting tray sizing calculations.
All tray calculations require actual liquid (flowing) densities. The user is required to enter
pure component liquid density data for all non-library components. In addition, sieve tray
calculations require viscosity data. Absolute viscosities for all non-library components
must be entered and a viscosity (or transport) method chosen on the METHODS
statement in the Thermodynamic Data category.
Different sections may contain either trays or packing within the same column. This is
especially useful in determining the overall column pressure drop, where part of the
column has been de-bottlenecked by replacing trays with packing.
References:
1. Glitsch, Inc, Ballast Tray Design Manual, Bulletin No. 4900, 3rd Edition.
2. Smith, B.D., Design of Equilibrium Stage Processes, Chapter 15-Tray Hydraulics:
Perforated Trays, McGraw-Hill (1963).
3. Ibid., Chapter 14- Tray Hydraulics: Bubble Cap Trays.
Tray Sizing and Tray Rating using RATEFRAC® Software P P
In addition to using all the tray sizing and tray rating statements available to all other
®
column models, the RATEFRAC Software algorithm requires additional data. This data is
P P
supplied by using the additional keywords that are identified as applicable only to the
RATEFRAC® Software algorithm.
P P
®

Input Description
Tray Sizing

U U



®
{ DPCALC = 1.0 } (not supported by RATEFRAC Software) P P
Tray Rating

U U
U U


®
{ DPCALC = 1.0 } (not supported by RATEFRAC Software) P P
(The following additional keywords apply only to the RATEFRAC® Software algorithm, and P P
are available for both tray sizing and tray rating except ESTDIAM which is for sizing only.)

U U U U

ESTDIAM(uflen) = value, VAPVOLPCT(upct) = value,

The following entries are available to both tray sizing (TSIZE) and tray
rating (TRATE):
SECTION Defines the section of the column to be rated or sized.

The “idno” qualifier is the section numbered sequentially from the top to the
bottom of the column. The default for “number” is the next available
integer.
“segno1 and segno2” are the top and bottom trays of the section. All trays
B B B B
in the section have identical configurations.

If this entry is omitted, the entire column is considered part of this section.
For RATEFRAC® routines all segments in the section are rate-based, non-
P P
equilibrium segments.
VALVE or Designates the tray type. VALVE and V1 are synonymous and designate a
V1 or V1 valve (a general purpose standard size unit for deck thickness up to
V4 or 3/8"). V4 specifies V4 valve trays (a venturi-shaped orifice opening in the
SIEVE or tray floor for pressure drop reduction with maximum permissible deck
CAP thickness of 10 gage). SIEVE and CAP specify sieve and bubble cap trays
respectively.
PASSES The number of flow paths (passes) in each section. 1 to 5 passes are
allowed for TRATE. For TSIZE, 1, 2 or 4 passes are allowed, see Figure
12.7-1. The default number of passes is whatever is required to keep the
(liquid gpm rate)/(downcomer width) ratio below 8.0, as per Glitsch Ballast
Tray Design Manual (see page 3 for reference).
For TSIZE, PRO/II determines the default number so the ratio of
(liquid gpm rate)/downcorner width) is below 8.0. In RATEFRAC® P
routines the number of passes always is 1.

P
SPACING The center-to-center tray spacing in each section. The default is 24 inches
(TRAY) (English units) or 610 mm (metric, SI).
DPCALC PRO/II, by default, executes tray sizing and rating calculations at output
time. If DPCALC is present, these calculations are performed during
flowsheet solution calculations. This enables the pressure drop to be
reflected in the column solution and gives the controller access to the
flooding factor. Not available when using RATEFRAC® Software.
P P
For DPCALC values greater than 0.0, the real number argument is the
number to divide the calculated pressure drop per theoretical tray to adjust
for tray efficiency. For example, a column is modeled as having 8
theoretical trays in a section, but in fact has 10 actual trays. Set
DPCALC=0.8 to adjust to the actual pressure drop. If DPCALC is set to
0.0, tray sizing and rating calculations are executed at calculation time, but
the column pressure profile is not updated.

SFACTOR The system factor for each section. Applying a value of less than 1.0
results in a flood condition reported at lower loading. In this case, tray
sizing runs predict a larger diameter column. Most often, a system factor is
provided when foaming is expected. Table 12.7-1 provides some
suggested values:
Table 12.7-1 Suggested System Factors
Service SFACTOR
Non-foaming systems 1.00
Fluorine systems 0.90
Moderate foaming, e.g., oil absorbers, amine and 0.85
glycol regenerators
Heavy foaming, e.g., amine and glycol absorbers 0.73
Severe foaming, e.g., MEK units 0.63
Foam stable systems 0.30
The default is 1.0
The following entries apply only to tray sizing (TSIZE):

FFACTOR Flooding factor, as a percent of flood. For tray sizing problems, the flooding
factor is a target never to be exceeded in a given section. PRO/II will
predict the exact size required to meet the flooding factor for each tray. The
next standard size larger and standard size smaller than the calculated
diameter size will be rated. Finally, PRO/II will scan the calculated sizes for
the largest “next larger” size and rate the entire section based on that
diameter. Valid entries are 20 to 100. Default values based on tray
diameter are listed in table 12.7-2.
DPCALC is required if the flooding factor is to be specified using a

controller, or if it is to be referenced by other unit operations.
Table 12.7-2 Default Flooding Factors

Tray Diameter
feet meters FFACTOR
0-2 0.0 – 0.6096 70
2-4 0.6096 – 1.2192 75
4 - 10 1.2192 – 3.0480 78
10 - 50 3.0480 – 15.2400 80

DMIN The minimum column diameter. The default is 15 inches (or equivalent metric,
SI). This entry is available only during sizing calculations (not for rating).
BASESEG Specifies a single segment in a section as the basis for diameter calculations for
®
RATEFRAC Software only. Observing the DMIN constraint, the diameter is
P P
computed for this designated segment. That computed diameter is then applied
to all other segments in the section. If omitted, the calculated diameter is the
largest diameter resulting from performing sizing calculations on every segment
in the section.
The following entries are valid for tray rating (TRATE) only:
DIAMETER The diameter of the tray (column diameter). Defaults to units of fine
(TRAY, uflen) length.
THICKNESS The deck thickness. The units default to gauge (English) or
(DECK, uflen) millimeters (metric, SI). Valid entries are listed in Table 12.7-3. Units
of fine length may be used as an alternative to gauge.
Table 12.7-3
Deck Thickness
Gauge Inches Millimeters
3 0.250 6.35
10 0.134 3.40
12 0.104 2.64
14* 0.074 1.88
* default
THICKNESS(VALVE) The valve thickness. The units default to gauge (English)

or millimeters (metric, SI). Valid entries are listed in table
12.7-4.

Table 12.7-4
Valve Thickness
Gauge Inches Millimeters
10 0.134 3.40
12 0.104 2.64
14 0.074 1.88
16* 0.060 1.52
18 0.050 1.27
20 0.037 0.94
* default
NUMBER(VALVES The number of valves or caps on a tray. If not given, this

or CAPS) number is calculated based on standard configurations.
SPACING(CAP) The outside to outside bubble cap spacing. If not given
and NUMBER(CAPS) is not given, it defaults to 1 inch
(25.4 mm).
FLAPPROACH The approach to flood expressed as a fraction of the
flooding point. Defaults to 0.5. Allowed values are in the
range (0.0 – 1.0).
DIAMETER(VALVE The diameter of the valve, sieve hole or bubble cap. The
or SIEVEHOLE allowable sizes arelisted in table 12.7-5.
or CAP)
Table 12.7-5
Allowable Valve, Sieve Hole and Bubble Cap Diameters
inches millimeters
Valve 1.875 47.625 Default
Sieve 0.50 12.7 Default for any size seive
Caps 3 76.2 Default when Dcol 48 inches
4 101.6 Default when Dcol > 48 inches
6 152.4
The standard bubble cap designs are listed in Table 12.7-6.

Table 12.7-6
Standard Cap Designs
Material Stainless Steel
Nominal size, in. 3 4 6
Cap:
U.S. Standard gauge 16 16 16
OD, in. 3.000 4.00 6.000
ID, in. 2.875 3.875 5.875
Height over-all, in. 2.500 3.000 3.750
Number of slots 20 26 39
Type of slots Trpzl Trpzl Trpzl
Slot width, in.:
Bottom 0.333 0.333 0.333
Top 0.167 0.167 0.167
Slot height, in. 1.000 1.250 1.500
Height shroud ring, in. 0.250 0.250 0.250
Riser:
U.S. Standard gauge 16 16 16
OD, in. 2.000 2.625 4.000
ID, in. 1.875 2.500 3.875
Standard heights, in.:
0.5-in. skirt height 2.250 2.500 2.750
1.0-in. skirt height 2.750 3.000 3.250
1.5-in. skirt height 3.250 3.500 3.750
Riser-slot seal, in. 0.500 0.500 0.500
Cap areas, in.:
Riser 2.65 4.80 11.68
Reversal 4.18 7.55 17.80
Annular 3.35 6.38 14.55
Slot 5.00 8.12 14.64
Cap 7.07 12.60 28.3
Area ratios:
Reversal/riser 1.58 1.57 1.52
Annular/riser 1.26 1.33 1.25
Slot/riser 1.89 1.69 1.25
Slot/cap 0.71 0.65 0.52
HOLEAREA(PCT) Valid only with SIEVE trays, this is the total effective area of sieve
holes given as a percentage of the active area. The default is 12
percent.
MATERIAL(VALVE) Valve construction material. Allowable entries arelisted in table 12.7-7.

Table 12.7-7
Valve Construction Material
Entry Material Entry Material

AL Aluminum PB Lead
CS Carbon steel TI Titanium
NI Nickel MONEL Monel
CU Copper HAST Hastelloy
SS Stainless steel*
*default
WEIR Weir height above tray. The default is 2 inches (50.8 mm) for valve and sieve
trays. The default values for bubble cap trays are shown in table 12.7-8.
Table 12.7-8
Default Values for Weir Height Using Bubble Cap Trays
Cap Diameter Weir Height
inches millimeters inches millimeters
3 76.2 2.75 69.85
4 101.6 3.00 76.20
6 152.4 3.25 82.55
DCC Downcomer clearance defined as the bottom of weir clearance

above the next lower tray. Defaults to the weir height less 0.5
inch (12.7 mm).
DCW Downcomer width. Eight values may be entered here
depending on number of passes. They are:
Table 12.7-9
Format of Downcomer Data
Downcomer Top of Bottom of Valid Number
Width Downcomer Downcomer of Passes
Side value1
B B value5 B B 1,2,3,4,5
center value2
B B value6 B B 2,4
off-center value3
B B value7 B B 3,4,5
off-side value4
B B value8 B B 5
Figure 12.7-1 illustrates the tray flowpath configurations

Figure 12.7-1 Tray Flowpaths
USID An identification field may be added. It does not affect calculations. It

may contain up to 72 characters
CASE An identification field may be added. It does not affect calculations. It
may contain up to 72 characters
Examples
12.7-1. Tray Sizing Example
A column with eight theoretical trays is to be sized for valve trays spaced 20 inches
apart on trays 2 through 4. The actual pressure drop will be adjusted, assuming that
there are 4 actual trays in this section. Trays 5 through 7 are sieve trays using the
default spacing. The pressure drop is adjusted to reflect 4 actual trays. A system factor
of 0.9 is applied.
COLUMN UID=1
PARAM TRAY=8
FEED FD,5
... additional COLUMN input (not shown) ...
TSIZE SECTION(1)=2,4, VALVE, SPACE(TRAY,IN)=20, DPCALC=0.75
TSIZE SECTION(2)=5,7, SIEVE, SF=0.9, DPCALC=0.75

12.7-2. Tray Rating Example
A column with eight theoretical trays is Data Item Section 1 Section 2
to be rated. The simulation will model
two rating sections; the first having V1 Tray number 2-4 5–7
type valves on the trays; the second Type V1 Valve Sieve
having seive trays. Passes 2 4
System factor 1.0 0.9
The table to the right lists the data that Tray spacing, in. 21 21
are needed to model the mechanical Diameter, ft. 6.25 8.0
configurations of the two sections: Material CS —
Hole area, % — 13.0
Weir height, in 3.0 2.5
DC clearance, in 2.75 2.0
COLUMN UID=1 DC width, in 5.0, 3.0 Default
PARAM TRAY=8 Tray efficiency 0.75 0.75
FEED FD,5
... additional COLUMN input ...
TRATE SECTION(1) = 2, 4, V1, PASSES = 2, SF = 1.0, &
SPACE(TRAY,IN) = 21, DIAM(TRAY,FT) = 6.25, &
MATERIAL = CS, WEIR(IN) = 3.0, DCC(IN) = 2.75, &
DCW(IN) = 5.0, 3.0, DPCALC = 0.75
TRATE SECTION(2)=5,7, PASSES=4, SIEVE, SF=0.9, &
SPACE(TRAY,IN)=21, DIAM(TRAY,FT)=8.0, &
HOLEAREA=13., WEIR(IN)=2.5, DPCALC=0.75

General Information - Random Packing
T
The IO, Enhanced IO, SURE, and CHEMDIST algorithms support simulation of
distillation using conventional random tower packings. Pressure drops are rigorously
calculated using the method of Tsai4 , Norton Co5 or KOCH-GLITSCH. The flood point
P P P P
is calculated by the method of Eckart6, KOCH-GLITSCH or optionally supplied by the

P P
user. Separation efficiencies, in the form of Height Equivalent to a Theoretical Plate

(HETP), may optionally be calculated using a “rule-of-thumb” based on the method of
7
Frank . Packing efficiencies and capacities for Norton high performance packings may
P P
be calculated based on the Norton correlations5. Calculations are based on the total
vapor leaving a packed stage and the total liquid leaving a packed stage.
The column may be divided into a maximum of 70 sections through keyword files.
Data for several types of random packing are contained in the program. For these
packing types, the user need only supply the packing size. For other types of random
packing, the packing factor must be supplied as determined from some suitable user
data. The packing factors built into the program are intended for use with the Norton
correlation or the KOCH-GLITSCH internal correlations. No packing factors are
published for the Tsai correlation, so Norton packing factors are used.
Rating or Design
Calculations can be performed either with a fixed diameter operating in a “rating” mode,
or with some performance limitation imposed on the simulation requiring the calculation
of the diameter, thereby operating in a “design” or “sizing” mode. Limitations may be
imposed based on:
A maximum pressure drop over a packed section.
A maximum pressure drop per foot of packing
A maximum approach to flooding.
A maximum approach to ‘efficient capacity’.
Pressure Profiles (not applicable in RATEFRAC® routines)

P P
The pressure profile is defined by the user in the usual way using either the
PRESSURE statement or the PSPEC statement (See Section 12.1). This fixes the
pressure drop across the condenser and reboiler (if present), fixes the pressure drop
across trays for which no hydraulic calculations are requested, and provides an initial
estimate of the pressure profile for the column.
As calculations approach solution, the column pressure drop profile is updated. This
procedure is repeated until convergence of both the pressure profile and the usual
distillation equations are achieved. Updating of the pressure profile usually occurs two
or three times. As a result, packed columns converge in approximately three of four
more iterations than are required for the same column without packing.

Theoretical Stages in Equilibrium Models (not applicable in RATEFRAC® P
routines)
P
The number of theoretical stages must be defined on the PARAMETER statement in the
usual way. If the user defines the height of packing, then the HETP is calculated as the
packed height divided by the number of packed stages (segments). If the height of
packing is not defined, then the program either uses the supplied HETP value or the
HETP calculated from Frank’s “rule-of-thumb” and calculates the height based on the
number of theoretical stages and this HETP value.
PRO/II never alters the number of stages entered on the TRAY entry of the
PARAMETER statement.
Data Requirements
Packed column calculations require actual (flowing) liquid and vapor densities. Density
data must be provided for all non-library user supplied components. Liquid viscosity is
required, but if a method is not explicitly defined by the user, the viscosity contribution to
the correlation is omitted. Surface tension is required when the Norton method is used
for efficient capacity and HETP calculations.
Additional Data Requirements for RATEFRAC® routines P P
As the only non-equilibrium rate-based stage model in PRO/II, RATEFRAC® routines P P
has additional data requirements for solving packed sections. These data include:
Void fraction of the packing
Built-in specific area of the packing (expressed as area per volume)
Critical surface tension of the packing material
RATEFRAC® routine is a non-equilibrium model that does not utilize theoretical trays.
P P
As a consequence, it does not support any of the efficiency options normally available in
equilibrium models. These include the keywords CSMETHOD, CSMAX, CSDESIGN
and CSAPPROACH, among others.
HETP is not involved in RATEFRAC® routine calculations, so none of the options

P P
involving it are available. These options include the keywords HETP and HMETHOD.
After RATEFRAC® software solves, it computes HETP values for reporting purposes
P P
only.
Random Packing Types

The rigorous mass transfer models used in RATEFRAC® Software require additional data
P P
to characterize each random packing. This data is not required by the equilibrium-based
algorithms in PRO/II. Data for random packing types and sizes have been licensed from
®
KOCH-GLITSCH. These are the only packings supported by RATEFRAC Software. P P
They are clearly identified in table12.7-11

References:
Tsai, T.C., “Packed-Tower program has special features”, Oil and Gas Journal, Sept,
1985, p. 77.
NORTON Co., Bulletin 1HP-1, 1987.
Perry, Chemical Engineers’ Handbook 6th ed., McGraw-Hill, P. 18-22.
Vital, T.J., Grossel, S.S. and Olsen, P. I., “Estimating separation efficiency”,
Hydrocarbon Processing, December, 1984, p. 75.
Input Description - Random Packing


or HMETHOD=FRANK or NORTON, U U

or DPPACK(upres,uleng) = value,
U U
or FLAPPROACH=0.5
CSAPPROACH = 0.88 }
Note: DPMETHOD is ignored for Koch-Glitch random packings. Built-in packing

(FACTOR ) factor for Koch-Glitch packing cannot be changed through keyword input.
®
RATEFRAC Software Random Packing
P P

B B B B
HEIGHT(uleng) = value,
U U

U U

idno
segno1,B B
segno2 B B
TYPE The packing type used in this section. For all algorithms other than
®
RATEFRAC Software, select a packing type fromTable 12.7-10 or 12.7-
P P
11 It is used along with the packing size to determine the packing factor by
table lookup. If, not given, the packing factor must be provided. For
RATEFRAC® Software, select a packing from Table 12.7-11.
P P
RATEFRAC® Software uses SPAREA instead of a packing factor.

P P
SIZE The nominal packing diameter. For any equilibrium stage model, chose
(uflen) one of the sizes in Table 12.7-10 or 12.7-11. Equivalent IMTP sizes also
are shown in Table 12.7-10. The SIZE and TYPE entries determine the
packing factor if the packing factor entry is omitted. The dimensional units
class is fine length.
For RATEFRAC® Software, select a size only from Table 12.7-11.
P P
®
RATEFRAC Software requires a SIZE entry.
P P
DIAMETER Specifies the diameter of this packed section. The dimensional units class
(uflen) if fine length (inch, mm, etc.) This key word acts as a toggle switch. It is
required for rating calculations. It is not allowed for sizing (design)
or calculations.
ESTDIAM Used only for design (sizing) calculations to provide an initial estimate of
(uflen) the diameter of the packed section. It cannot be used when the
DIAMETER entry is present. (Used in RATEFRAC® Software, ignored by
P P
other models.)
BASESEG Specifies a single segment in a section as the basis for diameter
calculations for RATEFRAC® Software only. Observing the DMIN
P P
constraint, the diameter is computed for this designated segment. That

computed diameter is then applied to all other segments in the section. If
omitted, the calculated diameter is the largest diameter resulting from
performing sizing calculations on every segment in the section.
DPMETHOD Selects the method for calculating the pressure drop. The default method
is NORTON. All equilibrium models allow TSAI and PNORTON as
®
alternative methods. For RATEFRAC Software, the default method is
P P
KOCH which uses proprietary correlations provided by KOCH-GLITSCH.

This keyword is ignored for KOCH-GLITSCH random packing.
DPSECTION DPSECTION is the maximum allowable pressure drop in this section.
(upres) DPPACK is the maximum allowable pressure gradient in pressure per
length units. These maximum pressure drops are allowed when in design
mode. If omitted, the column diameter is sized to meet the approach to
or flood or the approach to efficient capacity criteria. If given, the most limiting
DPPACK

(upres, uleng) case (pressure drop or approach) is used to size the column diameter.
FACTOR The packing factor for this section required for pressure drop and flooding
(FT or M) calculations. If TYPE and SIZE keywords are given corresponding to an
available entry in Table 12.7-10 the FACTOR keyword is not required. The
available units are FT (for ft2/ft3) or M( for m2/m3).
P P P P P P P P
Table 12.7-10
Random Packing Packing Factors for Equilibrium Models (not RATEFRAC® Software) P P
(Upper values are ft2/ft3 , lower values are m2/m3 .)

P P P P P P P P
Random (in) 0.25 0.375 0.5 0.625 0.75 1.0 1.25 1.5 2.0 3.0 3.5
Packing (mm)
TYPE Type (size) 6.3 9.5 12.7 15.9 19 25.4 31.7 38.1 50.8 76.2 88.9
#15 #25 #40 #50 #70
R
1 IMTP P P
51 41 24 18 12
(Metal)
167 135 78.7 59 39.4
TM
2 Hy-Pak P P
45 29 26 16
(Metal)
148 95 85.3 52.5
R
3 Super Intalox P P
60 30
Saddles
(Ceram)
197 98,4
4 Super Intalox 40 28 18
Saddles
(Ceram)
131 92 59
5 Pall Rings 95 55 40 26 17
(Plastic)
312 180 131 85 55.8
6 Pall Rings 81 56 40 27 18
(Metal)
266 184 131 89 59
7 Intalox 725 1000 580 145 92 52 40 22
Saddles
(Ceramic)
2379 3281 1903 476 302 171 131 72
8 Rascing Rings 1600 1000 580 380 255 179 125 93 65 37

(Ceramic)
5249 3281 1903 1247 837 587 410 305 213 121
9 Rascing Rings 700 390 300 170 155 115
(1/32” Metal)
2297 1280 984.2 558 509 377
10 Rascing Rings 410 300 220 114 110 83 57 32
(1/16” Metal)
1345 984.2 374 361 272 187 105
11 Berl Saddles 2953 240 170 110 65 45
(Ceramic)
900 787.4 558 361 213 148
R
P IMTP and Intalox are registered marks of Norton Company.
P
TM
P Hy-Pak is a trademark of Norton Company.
P

Table 12.7-11
Koch-Glitch Random Packing Specific Areas
(Upper values are ft2/ft3 , lower values are m2/m3 .)
P P P P P P P P
TYPE Random (in) 0.625 1.0 1.5 2.0 3.0 3.5 4.0 One
Packing (mm)
Type (size) 15.88 25.4 38.1 50.8 76.2 88.9 101.6 Size
#15 #25 #40 #50 #70
12 Snowflake 28.35
(Plastic) 93
13 Cascade Mini- 74.98 78.33 31.09 24.08
Ring (metal) 246 257 102 79
14 Cascade Mini- 49.99
Ring (plastic) 164
15 FlexiRing 100.28 60.96 39.014 29.87 17.68
(Metal) 329 200 128 98 58
16 FlexiRing 87.17 62.48 36.27 30.175 25.60
(Plastic) 286 205 119 99 84
17 Super Intalox 62.18 31.70 23.47
Saddles(Plastic) 204 104 77
18 Flexi Saddles 61.39 45.72 27.43 19.385
(Ceramic) 201.4 150 90 63.6
19 Koch-Glitch 68.3 46.025 31.09 18.59
IMTP
(Metal) 224 151 102 61
20 Koch-Glitch 56.08 31.39 25.60 17.37

Hy-Pak
(Metal) 184 103 84 57
HEIGHT The height of the packed section. Default units are FT (English) or M
(uleng) (metric, SI). If not given, this value is determined from the number of
Or theoretical stages in the section and the supplied or calculated HETP
®
value. Required in each packed section when using RATEFRAC P
Software.
P
HETP The height of the packed section. If not given, this value is determined
from the number of theoretical stages in the section and the supplied or
calculated HETP value. HEIGHT and HETP are mutually exclusive.
RATEFRAC® equilibrium sections require HEIGHT. HETP is not supported

P P
®
by RATEFRAC Software.
P P

HMETHOD Selects the method for calculating the HETP. The default method is
FRANK. NORTON’s method may be selected when IMTP packing is
®
used. Not available in the RATEFRAC software model. Not supported P P P P
by RATEFRAC® software. P P
The following four keywords allow using approach-to-flood as the

criterion for sizing and rating. RATEFRAC® Software supports only P P
FLAPPROACH.
FLMETHOD In the absence of any other flood method or Norton method
keywords, this keyword selects the approach to flood as the
design and rating criteria. FLMETHOD is default if no method
®
is given. Not allowed with RATEFRAC software. P P
FLOOD This entry is defined by the following equation:

(uvelo)
FLOOD = V f * ρG / ( ρ L − ρG )
where Vf= superficial vapor velocity at flood. If a value for
B B
FLOOD is given, Vf is calculated by this equation. If not given,

B B
Vf is calculated by Eckart’s correlation6. The default (velocity)

B B P P
dimensions are FT/SEC (English) or M/SEC (metric, SI). Not

®
allowed with RATEFRAC Software. P P
DESIGN This is the design velocity, defined by the following equation:

(uvelo)
DESIGN = Vd * ρG / ( ρ L − ρG )
where Vd = superficial vapor velocity at design. If DESIGN is
B B
not given, it defaults to

DESIGN = FLAPPROACH * FLOOD
This value of Vd, whether calculated or supplied, becomes the
B B
basis for column diameter calculations in design mode. Not

allowed with RATEFRAC® Software. P P
FLAPPROACH The approach to flood expressed as a fraction of the flooding

point. Defaults to 0.5. Allowed values range is (>0.0 – 1.0).
KOCH-GLITSCH packing sizing supports only FLAPPROACH.
The following four keywords are relevant when Norton’s approach to
efficient capacity is used as the criterion for sizing and rating.
These keywords may not be used with any of the previous four
keywords.
Currently, only IMTP packings are supported by this procedure. Not
available in RATEFRAC® Software.
P P
CSMETHOD In the absence of any other flood method or Norton method

keywords, this keyword selects the Norton approach to efficient

packing as the design and rating criteria. Not available in
®
RATEFRAC Software.
P P
CSMAX This entry is defined by the following equation:

(uvelo)
CSMAX = V E * ρ G / ( ρ L − ρ G )
where Ve= superficial vapor velocity at efficient capacity. If a
B B
value for CSMAX is given, it is used along with CSAPPROACH

to calculate the design superficial velocity. If not given, CSMAX
5
is calculated by the procedure outlined by Norton . The default
P P
dimensional units are FT/SEC (English) or M/SEC (metric, SI).

CSMAX is the same as CSC given in the Norton Bulletin.
Not available in RATEFRAC® Software.
P P
CSDESIGN This is the design velocity, defined by the following equation:

(uvelo)
CSDESIGN = VD * ρ G / ( ρ L − ρ G )
where Vd = superficial vapor velocity at design. If CSDESIGN
B B
is not given, it defaults to
CSDESIGN = CSAPPROACH * CSMAX

This value of Vd, whether calculated or supplied, becomes the
B B
basis for column diameter calculations in design mode.

Not available in RATEFRAC® Software.
P P
CSAPPROACH The approach to efficient capacity expressed as a fraction of

the efficient capacity point. Defaults to 0.88. Allowed values
®
are in the range (0.0 – 1.0). (Not RATEFRAC .) P P
Not available in RATEFRAC® software.

P P
The following keywords are available only when using RATEFRAC® P
Software. They are ignored by all other column models.

P
VOIDFRAC The fraction of the packing volume that is void space. Values
(ufrac) should be in the range 0.6 to 0.9999
LIQMIXING The method for liquid mixing. Options are COMPLETE (the
default), LINEAR, andLOG (logarithmic). Used only by
®
RATEFRAC Software.
P P
VAPMIXING The method for liquid mixing. Options are COMPLETE (the
RATEFRAC® Software.
P P
USID An identification field may be added. It does not affect

calculations. It may contain up to 72 characters
CASE An identification field may be added. It does not affect
calculations. It may contain up to 72 characters

Examples
12.7.3: Random Packed Column Rating Example
A column contains 1" ceramic Raschig Rings at theoretical stages 2 through 4, with a
column diameter of 4.0 feet. This section is to be rated as a percentage of flood, via
Eckart’s calculations using Tsai’s pressure drop correlations. The HETP is calculated
using Frank’s “rule-of-thumb.” A second section from tray 5 through 7 has a column
diameter of 5.25 feet, contains 5/8" IMTP packing and is to be rated using Norton’s
correlation and Norton’s pressure drop correlation. The HETP is calculated via
Norton’s HETP correlation.
COLUMN UID = RanPak
PARAM TRAY = 8
FEED FD, 5
( … additional input data omitted …)
PACKING SECTION(1) = 2, 4, TYPE = 8, SIZE = 1.0, &
DIAMETER(FT) = 4.0, &
DPMETH = TSAI, HMETHOD = FRANK
DIAMETER(FT) = 5.25, &
SIZE = 0.625, DPMETH = NORTON, &
HMETHOD = NORTON, CSAPP
12.7.4: Random Packed Column Design (Sizing) Example

The same data as for Example 3, except PRO/II is to determine the diameter of each
section. The design criteria are 1) for section 1, an approach to flood of 65% and 2)
for section 2, an approach to efficient capacity of 90%.
COLUMN UID = RanPak
PARAM TRAY = 8
FEED FD, 5
( … additional input data omitted …)
DPMETH = TSAI, HMETHOD = FRANK, &
FLAPPROACH = 0.65
DPMETH = NORTON, &
HMETHOD = NORTON, CSAPP = 0.90

General Information - Structured Packing
The IO, Enhanced IO, SURE, CHEMDIST, and RATEFRAC® algorithms in the PRO/II
P P
column model support structured packing sizing (design) and rating calculations. The IO,
Enhanced IO, SURE, and CHEMDIST algorithms utilize equilibrium stage models and
®
HETP to simulate packed sections of theoretical stages. RATEFRAC Software uses
P P
rate-based methods to simulate actual segments in packed sections. There are

fundamental differences in these two approaches. This is most apparent in the different
data requirements of the two approaches. The remainder of this section includes
separate documentation where these differences exist. Generally, RATEFRAC® Software
P P
supports most (but not all) of the features available for the equilibrium stage models.
RATEFRAC® Software also requires additional data that is not supported by the
P P
equilibrium stage models.
Using Structured Packing with Equilibrium Column Models

The IO, Enhanced IO, SURE, and CHEMDIST algorithms support the simulation of
distillation using Sulzer and KOCH-GLITSCH structured tower packings. Pressure drop
and percent capacity are calculated according to the methodology of Spiegel and
Meier8. KOCH-GLITSCH method is used to calculate pressure-drop and flood point for
P P
KOCH-GLITSCH structured tower packing.Calculations are based on the total vapor

entering and the total liquid leaving the total height equivalent of a theoretical plate.
The column may be divided into a maximum number of 70 sections through keyword
files.
Theoretical Stages
The number of theoretical stages must be defined on the PARAMETER statement in the
usual way. If the user defines the height of packing, then the HETP is calculated as the
packed height divided by the number of packed stages. If the height of packing is not
specified, then PRO/II uses the user-supplied HETP value and calculates the height
based on the number of theoretical stages and this HETP value.
Rating or Design
Calculations may be performed either with a fixed diameter in a “rating” mode, or with
percentage capacity or approach to flood specified in a “design” or “sizing” mode.
Pressure Profiles
The pressure profile is defined in the usual way using either the PRESSURE statement,
or the PSPEC statement (see Section 12.1, Column Input). This fixes the pressure drop
across the condenser and reboiler (if present), fixes the pressure drop across trays for
which no hydraulic calculations are requested, and provides an initial estimate of the
pressure profile for the column.
As calculations approach solution, the column pressure drop profile is updated. This
procedure is repeated until convergence of both the pressure profile and the usual
distillation equations are achieved. Updating the pressure profile usually occurs two or
three times. As a result, columns containing structured packings converge in

approximately three or four more iterations than are required for the same column
without packing.
Definitions:
100% capacity is defined as a pressure drop of 10 mbar/m. Stable operation at this
capacity is possible, but the gas load is higher than at which maximum efficiency is
obtained.
Flooding occurs when the interaction between gas and liquid is so strong that stable
counter-current operation is no longer possible. Pressure drop and hold-up (fluid
retained in the packing) increase sharply, and separation efficiency falls rapidly with
slight increases in gas or fluid flow rates. Flooding occurs at gas loads above 105-110%
capacity. While flooding is widely referred to in the literature in qualitative rating of
columns, 100% capacity is the criterion used by Sulzer for quantitative rating, since it
may be more precisely measured, and since the results are independent of the liquid-
gas system employed.
F-factor is defined as wGAS(ρGAS)0.5, where wGAS is the superficial gas velocity.
B B P P B B
The maximum recommended gas load is that corresponding to a pressure drop of 3

mbar/m.
Data Requirements
All calculations require liquid and gas densities. Pure component liquid and gas
densities must be entered for all non-library components. All calculations also require
liquid viscosity and surface tension. The user must enter these data for all non-library
components, and a transport method must be specified on the METHODS statement in
the Thermodynamic Data Category of input. Additionally, the user must specify the
packing type, the top pressure, the packed height and either column diameter (rating
mode) or percent capacity (design mode).
®
Additional Data Requirements for RATEFRAC Software P P
As the only non-equilibrium rate-based stage model in PRO/II, RATEFRAC® Software has
P P
additional data requirements for solving packed sections. These data include:
Void fraction of the packing
Built-in specific area of the packing (expressed as area per lenfth)
Critical surface tension of the packing material
RATEFRAC® Software is a non-equilibrium model that does not utilize theoretical trays.
P P
As a consequence, it does not support any of the efficiency options normally available in
equilibrium models. These include the keywords CSMETHOD, CSMAX, CSDESIGN and
CSAPPROACH, among others.
HETP is not involved in RATEFRAC® routines rate-based calculations, so none of the
P P
options involving it are available. These options include the keywords HETP and
HMETHOD. After RATEFRAC® Software solves, it computes HETP values for reporting
P P
purposes only.

Structured Packing Types for Equilibrium Stage Models
The IO, Enhanced IO, SURE, and CHEMDIST algorithms require packing data suitable
for use in equilibrium stage models. Table 12.7-12 lists data for several types of Sulzer
structured packing. Table 12.7-13 lists several types of KOCH-GLITSCH structured
packings . The user need only specify the packing type; no further packing-related
information need be supplied. Detailed descriptions of the various packing types, and
the applications and operating conditions for which they are available are given in
9
Sulzer document 22.13.06.40 , available from your SimSci representative. Generally,
P P
the SULZER key word must be used to select a structured packing from table 12.7-12.
Data in Table 10.7-14 is incompatible and should not be used. Use FLEX, INTALOX or
KGWIRE keywords to select a KOCH-GLITSCH structured packing from table 12.7-13.
The most widely used packing type is MELLAPAK 250.Y (M250Y); a mid-range packing
in terms of both separation performance and capacity. If the user is unsure which
packing type is most suitable for the application, M250Y should be specified for initial
calculations. If greater capacity/lower pressure drop is required, a less dense packing,
e.g., MELLAPAK 125.Y (M125Y) should be selected. If greater separation performance
is required, a denser packing, e.g., MELLAPAK 350.Y should be chosen. Refer to the
manufacturer if unsure what packing type to use.
Structured Packing Types for RATEFRAC® P P
The rigorous mass transfer models used in RATEFRAC® software require additional data
P P
to characterize each structured packing. Structured packing data has been licensed from
KOCH-GLITSCH. These are the only packings supported by RATEFRAC® software. P P
They are clearly identified in tables 12.7.13. Data in Table 14.7-13 is incompatible and
should not be used.
Restrictions for Sulzer Packing

PRO/II uses correlations of experimental data in calculating capacity and pressure drop.
There is therefore a risk associated with their use for conditions outside the ranges for
which the data were obtained. This risk increases the degree of extrapolation from data
measurement conditions. The experimental data used to generate the correlations used
were obtained in these ranges:
Gas density (kg/m3) 0.05-60
Liquid density (kg/m3) 400-1100
Liquid viscosity (cP) 0.05-2
Liquid surface tension (mN/m) 2.1-72
F-factor 0.05-5
Specific liquid load (m3/m2-hr) 0-20
Pressure (bar) 0.01-20 (capacity)
Accuracy
The capacity calculated by PRO/II using the Sulzer correlations is within 10%, and that
of the pressure drop within 20%. These accuracy estimates are somewhat conservative;
accuracy in most cases is better, and an additional factor of safety to allow for prediction
inaccuracy is usually not necessary. A safety factor is however necessary when there is

uncertainty associated with the operating conditions, or where these are outside the
ranges listed previously.
References:
Sulzer Chemtech, Document 22.54.06.40, “Correlations of the performance
characteristics of the various MELLAPAK types”, 1991
Sulzer Chemtech, Document 22.13.06.40, “Separation columns for distillation and
absorption”, 1991.
Input Description – Structured Packing

Structured Packing (not for RATEFRAC®) P P
SULZER = type or FLEX=type or INTALOX=type or KGWIREGAUZE

=type
{ and HEIGHT(uleng) = value or HETP(uleng) = value},
{ DIAMETER(uflen)=value or CAPACITY=value (>0.0 to 100.0) or
FLAPPROACH=value } (FLAPPROACH is >0 to 1.0)

P P
FLEX = type,
or INTALOX = type,
U U

U U


idno The “idno” qualifier is the section ID number, numbered
sequentially from the top to the bottom of the column. The default
for “idno” is the next available integer.
segno1, B B These arguments are the top and bottom stages of the section.
segno2 B B All stages between and including “segno 1” and “segno 2” have
B B B B
identical configurations.
SULZER The packing type for the section when using an equilibrium stage model.
Select one of the packings in Table 12.7-13. This entry is required. Not
®
available with RATEFRAC software.. P P
Table 12.7-12
®
Sulzer Structured Packing Types (not for use with RATEFRAC ) P P
SULZER Description
Type
M125X 125 m2/m3, sheet metal, very high capacity. Suitable for extremely
P P
M125Y high liquid loads where separation efficiency requirements are low.
Configuration angle of X types 30 degree to vertical, Y types 45. Use
X types for higher capacity, Y types for higher separation efficiency.
2 3
M170X 170 m /m , sheet metal, high capacity, moderate separation
P P P P
M170Y efficiency.
M250X 250 m2/m3, sheet metal, moderate capacity, high separation
P P P P
M250Y efficiency.
2 3
M350X 350 m /m , sheet metal, moderate capacity, high separation
P P P P
M350Y efficiency.
M500X 500 m2/m3, sheet metal, limited capacity, very high separation
P P P P
M500Y efficiency. Suitable where column weight is of overriding importance.

BX Metal wire gauze, high capacity, high separation efficiency even at
CY small liquid loads. CY offers maximum separation efficiency, lower
capacity than BX.
KERA Thin-walled ceramic KERAPAK packing for corrosive and/or high
temperature applications.
FLEX or The packing type for the section when using RATEFRAC® P
INTALOX or software . Select one of the packings in Table 12.7-13. This

P
entry is required.
KGWIRE
Table 12.7-13
KOCH-GLITSCH Structured Packing Types for IO, Enhanced IO, Chemdist,

Sure and RATEFRAC® P P
Keyword
Packing KOCH- Size Size
FLEXI = Type GLITSCH ft2/ft3 P P P P m2/m3
P P P P
Type
F1X FlexiPac 1X 128 420
F14X FlexiPac 1.4X 103 338
F16X FlexiPac 1.6X 86.87 285
F250 FlexiPac 250X 74.07 243
F2X FlexiPac 2X 67.06 220
F25X FlexiPac 2.5X 44.81 147
F25Y FlexiPac 2.5Y 44.81 147
F3X FlexiPac 3X 33.53 110
F3Y FlexiPac 3Y 33.53 110
F4Y FlexiPac 4Y 16.76 55
F2YP FlexiPac 2Y 61.875 203
HC70 FlexiPac HC 700Y 210 689
HC50 FlexiPac HC 500Y 147.52 484
HC1Y FlexiPac HC 1Y 128 420
HC14 FlexiPac HC 1.4Y 103 338
HC16 FlexiPac HC 1.6Y 86.87 285
HC25 FlexiPac HC 250Y 74.04 243
HC2Y FlexiPac HC 2Y 67.06 220
Packing Koch-Glitch Size Size

INTALOX = 2 3
Type Type ft /ft
P P P P m2/m3
P P P P
I2 IntaLox 2T 65.23 214

I3 IntaLox 3T 51.82 170
I4 IntaLox 4T 40.54 133
I5 IntaLox 5T 27.13 89
TX5 IntaLox 5TX 27.13 89

KGWIRE = 2 3 2 3
Type Type ft /ft
P P P P m /m
P P P P
BX Wire
BX KG Wire Gauze 149.05 489
Gauze
FLEXE = 2 3
Type Type ft /ft
P P P P m2/m3
P P P P
F28 FlexeRamic 28 85.95 282

HEIGHT The packing section overall height in units of fine length. If not
(uleng) given, this value is determined from the number of theoretical
or stages in the section and the supplied or calculated HETP value.

Required for each section by RATEFRAC® software.P P
HETP The Height Equivalent to a Theoretical Plate for this section. Default
(uleng) units are FT (English) or M (metric or SI). A value for either HEIGHT
or HETP must be given. For the majority of distillation applications,
the value of HETP is independent of the gas-liquid system, and the
9
values given in the Sulzer documentation for the various packing
P P
types and operating conditions may be used. For absorption

applications, this is not the case, and care must be taken that the
HETP specified is appropriate for the gas-liquid system in question.
Values are given in the Sulzer documentation9 for several of the
P P
commonest gas-liquid systems. For other gas-liquid systems, the

Absorption Technology Department of the Separation Columns
Division of Sulzer Chemtech must be consulted. HETP is not
available in RATEFRAC® software.
P P
RATEFRAC® sections require HEIGHT. RATEFRAC® does not allow

P P P P
HETP.
DIAMETER The diameter of the packed section in IN (English) or MM (metric or
(uflen) SI). For rating calculations, this entry is required. For sizing
or calculations, where the diameter is to be calculated, this entry is not
required.
ESTDIAM Used only for design (sizing) calculations to provide an initial
(uflen) estimate of the diameter of the packed section. It cannot be used
when the DIAMETER entry is present. (Used in RATEFRAC® P P
routines, ignored by other models.)

BASESEG Specifies a single segment in a section as the basis for diameter
®
calculations for RATEFRAC software only. Observing the DMIN
P P
constraint, the diameter is computed for this designated segment.

That computed diameter is then applied to all other segments in the
section. If omitted, the first segment (i.e., the segno1 entry of the B B
SECTION keyword) is used by default. Available only in

RATEFRAC® software..
P P
FLAPPROACH The approach to flood expressed as a fraction of the flooding point.

Defaults to 0.5. Allowed values are in the range (0.0 – 1.0).
FLAPPROACH (not CAPACITY) is used for KOCH-GLITSCH
structured packing sizing.
CAPACITY The percent capacity at which the column is to operate. CAPACITY
be specified when the diameter is to be calculated. It is not
necessary for rating calculations when the column diameter is
specified. It is recommended that the value of CAPACITY not
exceed 80% to ensure that separation efficiency is maintained at a
high value, and that the pressure drop remains low.
®
RATEFRAC allows FLAPPROACH and does not support the use
P P
of CAPACITY.

The following keywords are avaliable only when using RATEFRAC® P
software . They are ignored by all equilibrium models.

P
VOIDFRAC The fraction of the packing volume that is void space. Values
(ufrac) should be in the range 1.-e-6 to 1.0.
LIQMIXING The method for liquid mixing. Options are COMPLETE (the
®
RATEFRAC software.
P P
VAPMIXING The method for liquid mixing. Options are COMPLETE (the
®
RATEFRAC software.
P P
USID An identification field may be added. It does not affect calculations.

It may contain up to 72 characters.
CASE An identification field may be added. It does not affect calculations.
It may contain up to 72 characters.

Example
12.7.5: Structured Packed Column Rating Example
A 50/50 molar mix of ethyl benzene and styrene is to be separated in a vacuum
column operating at 160 mbar. The column is 5 feet in diameter and contains 40
theoretical stages with corrugated metal sheet packing Sulzer type M250.Y at stages
21 through 40.
TITLE
DIME TEMP = C, PRES = BAR
COMP DATA
LIBID 1, EBENZENE / 2, STYRENE
STREAM DATA
PROP STREAM = 1, TEMP = 40, PRES = 0.2, &
COMP = 1, 0.5 / 2, 0.5, RATE = 1000
UNIT OP
COLUMN UID = COL1
PARA TRAY = 40
FEED 1, 20
PROD OVHD = 2, BTMS = 3
COND TYPE = BUBB
DUTY 1, 1, 1 / 2, 11, 11
PSPEC TOP = 0.16, DPCOL = 0.05
PACKING SECTION = 21, 40, SULZER = M250Y, &
HEIGHT = 30, DIAM = 5
ESTI MODEL = CHEM
TEMP 1, 149 / 2, 150 / 11, 190
SPEC STREAM = 3, RATE(M), COMP = 1, &
RATIO, REFFEED, RATE(M), &
COMP = 1, VALUE = 0.0001
SPEC COLUMN = COL1, RRAT(M), VALUE = 10
VARY DUTY = 1, 2
END


12.8 – SHORTCUT
U
DISTILLATION
Keyword Summary
SHORTCUT UID=uid, NAME=text

FEED sid
PRODUCT STREAM= sid, PHASE=L or V or M, U U
DP(unit)= 0.0 or PRESSURE(unit)= value,

RATE (basis, unit)= value or
PERCENT (basis)= value or
CUTPOINT (T or WT or LV)= value
WATER sid
Condenser Type (optional)

TEMP(unit)=value or DT(unit)=value

EVALUATE MODEL=CONVENTIONAL or REFINE,
TRIAL=20, {KEYL= i and KEYH= k},
RRMIN=2.0 or MMMIN=value
FINDEX a, b, ...
Specifications (required)
Specifying a stream property (Section 10.4):
SPEC STREAM = sid, <property 1>, PHASE=T or L or V, U U
WET or DRY,
U U

Specifying the Fenske index:
SPEC FINDEX(idno),

Chapter 12.8 SHORTCUT DISTILLATION 423

METHOD SET=setid
General Information
The shortcut distillation module uses a generalized Fenske method to predict product
distributions for multi-feed, multi-product fractionators. The model supports an unlimited
number of feeds and products. Any type of condenser can be used. For water-
hydrocarbon systems, if present, free water will decant at the condenser. Many types of
product specifications can be made.
For one-feed, two-product columns, the user may request the determination of the
minimum reflux ratio by the Underwood method. In this case, PRO/II will also determine
and print the number of theoretical trays, the actual reflux rates, and condenser and
reboiler duties for a set of given R/Rmin or M/Mmin values, based on a Gilliland-type
correlation. The method of Kirkbride is used to determine the optimum feed tray location
for each operation.
Column Models
An N-product column can be divided into (N-1) sections, with one section between each
pair of adjacent products. Two types of models are available in PRO/II for Fenske
calculations, as illustrated in Figure 12.8-1. In the CONVENTIONAL model, total reflux
condition exists throughout the column. In the REFINE model, the column is represented
by a series of one-feed, two-product columns. While total reflux condition exists in each of
these sectional columns, there is no reflux between the sections.
Figure 12.8-1 Shortcut Column Models

For either of these models, there are (N - 1) * 2 degrees of freedom. In order to define the
column operation, therefore, a total of (N - 1) * 2 specifications must be made. The user
may choose to make any of the generalized product stream specifications described in
Section 10.4, except temperature and pressure. The user may also specify the Fenske
index (theoretical trays at total reflux) in any column section.
Unlike the rigorous distillation models in PRO/II, if the overhead product consists of both
vapor and liquid phases, the total overhead is combined into one mixed phase product. If
free water exists in the overhead but not specifically decanted with a WATER statement, it
is included in the overhead product and must be accounted for in the overhead stream
specification (if given).
Input Description
SHORTCUT UID=uid, NAME=text
The SHORTCUT statement must appear as the first statement. All entries are general to
all unit operations, as described in Section 10.2.

FEED sid
The FEED statement is general to all unit operations. Refer to Section 10.2.
PRODUCT STREAM= sid, PHASE=L or V or M,
DP(unit)= 0.0 or PRESSURE(unit)= value,
RATE (basis, unit)= value or
PERCENT (basis)= value or
CUTPOINT (T or WT or LV)= value
The PRODUCT statement differs significantly from PRODUCT statements for other unit
operations. Each product stream, excluding decanted water, is defined on a separate
PRODUCT statement. Products must be input in order where the first PRODUCT
statement represents the top product for the column.
STREAM Enter the product stream identifier, ‘sid’.

PHASE For all products except from the condenser, the PHASE is set to
either liquid (L - default) or vapor (V). The condenser product may
also be set to mixed phase (M). By default, the condenser
product phase is automatically set to be consistent with the
condenser type.
DP or The product pressure or pressure increase. For the top product,
PRES DP is the pressure increase over the feed. For each subsequent
lower product, DP is the pressure increase over the previous
product. The default is DP=0.
Exactly one of the following three keywords must be provided for

all products except for the last (bottom). PRO/II estimates the
bottom product rate by material balance.

RATE The mole (M - default), weight (WT), or standard liquid volume
(LV) rate estimate for the product.
PERCENT The mole (M - default), weight (WT), or standard liquid volume

(LV) rate estimate as a percent of total feed.
CUTPOINT The estimated weight (WT) or standard liquid volume (LV)
cumulative percent based on the TBP curve, or the estimated
rate based on the temperature (T) corresponding to the point on
the TBP curve.
WATER sid When water/hydrocarbon systems are present, a pure water
phase may be decanted from the condenser. This is assigned
stream label ‘sid’. When free water is present and not decanted, it
is included with the overhead product.
Condenser Type (optional)

TEMP(unit)=value or DT(unit)=value
The CONDENSER statement is used to define the condenser. For columns with no
condenser, this statement should be omitted.
Figure 12.8-2 Condenser Types

TYPE Defines the condenser type. PRO/II supports five different
condenser types as illustrated in Figure 12.8-2.
TEMP Defines the condenser temperature for a MIXED or TFIX
condenser.
DT Defines the condenser temperature for a DTBB condenser.
The resulting temperature will be below the bubble point
temperature by that number of degrees.

EVALUATE MODEL=CONVENTIONAL or REFINE,
U U
TRIAL=20, {KEYL= i and KEYH= k},

RRMIN=2.0 or MMMIN=value
MODEL Selects the shortcut model. The default is CONVENTIONAL

which is used for most applications. The REFINE model is
used primarily for multi-product main fractionators such as
crude units and FCC main fractionators.
TRIALS The number of Fenske iterations. The default is 20.
KEYL and The light and heavy keys respectively. These values are used
KEYH only for conventional one feed, two product columns.
Supplying these values enables the Underwood calculations
for minimum reflux.
“i” is the component that defines the light key. Similarly, “k”
defines the heavy key component.
RRMIN or When minimum reflux is calculated, the Gilliland correlation is
MMMIN used to predict five points on the reflux vs. trays curve. The
middle point is defined by the ratio to minimum reflux or the
ratio to minimum trays.
For example, a value of RRMIN=2.5 will cause a tabulation

of five points containing reflux vs. number of trays. The
middle point will have a reflux equal to 2.5 times the
Underwood calculation for minimum reflux.
FINDEX a, b, ...

This statement allows the user to estimate the Fenske index (or minimum trays) for each
section. “a” is the Fenske index between the top of the column and the first side product,
etc. The default value is 2.0 for each section.
Specifications (required)
Specifying a stream property (Section 10.4):
SPEC STREAM = sid, <property 1>, PHASE=T or L or V,
U U
WET or DRY,
U U

Specifying the Fenske index:
SPEC FINDEX(idno),
The SHORTCUT module supports all stream specifications shown in Tables 10.3-2 A-B
except PRES and TEMP. The only available specification on unit operating parameters is
the specification of Fenske index (FINDEX).
For N products, there are N-1 sections. Since there are two degrees of freedom
associated with each section, the SHORTCUT module requires (N - 1) * 2 SPEC
statements.
FINDEX The specified Fenske index (minimum trays) for section ‘idno’.

METHOD SET=setid
When several thermodymaic method sets are available, the METHOD statement allows
Examples
1: Simple Splitter
In a single feed, two product column operating at 700 kPa, the top product is to contain
0.01 mole fraction of component number 5, while the bottom product is to contain .001
mole fraction of component 4. It is estimated that the top product will contain 30 weight
percent of the feed. A total bubble point condenser is used, operating at 70 kPa below the
column pressure. A table of five Gilliland points will be generated about a ratio of reflux to
minimum reflux of 2.5.
SHORTCUT UIC=SPLT, NAME=SPLITTER
FEED 5
PRODUCT STREAM=6, PRES(KPA)=630, &
PERCENT(WT)=30
PRODUCT STREAM=7, PRES(KPA)=700
SPEC STREAM=6, COMP=5, FRACTION, VALUE=.01
SPEC STREAM=7, COMP=4, FRACTION, VALUE=.001

CONDENSER TYPE=BUBBLE
EVALUATE
MODEL=CONVENTIONAL,&
KEYL=4, KEYH=5, RRMIN=2.5
Figure 12.8-3: Splitter

2: Crude Unit
A crude unit with six products (excluding water decant) is simulated with a shortcut model.
The following product specifications are desired:
Stream Spec type Value

Lt naphtha-hvy naphtha D86(5%-95%) gap 36 F
Hvy naphtha ASTM D86 (95%) 323 F
Kerosene ASTM D86 (95%) 523 F
Diesel ASTM D86 (95%) 654 F
Hvy naphtha FLOW 2101 BPD
Kerosene FLOW 2547 BPD
Diesel FLOW 1104 BPD
Bottoms FLOW 2752 BPD
The REFINE model is used for the simulation. Note that the stripping streams to the
sidestrippers are included with the feed to the column for proper water balance. Note also
that the light naphtha and gas will be considered as one stream since only one overhead
product is possible for the shortcut column model. (The condenser is represented by a

separate flash drum.) The condenser temperature is set at 120 F. ASTM 95%
temperatures have been specified instead of endpoints for a more accurate simulation
since the Fenske model tends to be too sharp on the “tails” of the distillation curves.
Figure 12.8-4 Shortcut Crude Unit
SHORTCUT UID=CR1, NAME=CTU

FEED 1, 12, 8, 9, 10
PRODUCT STREAM=20, PHASE=M, &
PRESSURE=35,RATE(BBL/D)=1496
PRODUCT STREAM=3, RATE(BBL/D)=2101
PRODUCT STREAM=6
CONDENSER TYPE=PART, TEMPERATURE=120
WATER 7
SPEC STREAM=3, D86(5), MINUS, STREAM=2, &
D86(95), VALUE=36
SPEC STREAM=3, D86(95), VALUE=323
SPEC STREAM=3, RATE(BBL/D), VALUE=2101

EVALUATE MODEL=REFINE
FLASH NAME=CONDENSER
FEED 20
PRODUCT L=2, V=11
ISOTHERMAL TEMP=120, PRES=35


12.9 – LIQUID-LIQUID
U
EXTRACTION
Keyword Summary
COLUMN UID=uid, NAME=text

PARAMETER TRAY=value, LLEX=20
DAMP=1.0, ERRINC=1.0, CUTOFF=1.0E -8

FEED sid, tno/...,SUPERCEDE=ON or OFF
U U
PRODUCT OVHD= sid, value, BTMS=sid, value,

{L1PART= sid, tno, value/...},
{L2PART= sid, tno, value/...}

TFLOW {NET(L1 or L2) = sid,tno/...,
TOTAL(L1 or L2) = sid,tno/...}
Side Heaters/Coolers (optional)

DUTY idno,tno, value/...
(Duty in millions of energy/time units. HEAT is an alternate name for DUTY).

or
Stage Pressure (required)

Chapter 12.9 LIQUID-LIQUID EXTRACTION 433

or
DPCOL(unit)= 0.0 or DP(unit)=value

ESTIMATE MODEL= SIMPLE

U U tno, value/...}
{CESTIMATE(L or V)U U tno, x1, x2,.../...}
B B B B
Performance Specifications (optional – Section 10.4)

SPEC({CHANGE}) STREAM = sid, <property 1>, PHASE=L1 or L2,

statement)
Print Options (optional)

U U
PROPTABLES=BRIEF or PARTIAL or ALL, U U
{DIAGRAM},

PLOT {PROFILE},{L1COMP=i,j/k,l/...},{L2COMP=m,n/o,p/...},{LOG},
{SFACTOR}

{<operator>,
Tray Efficiencies (optional – 12.1)


EFACTOR value

General Information
The unit operation may be used to simulate multicomponent liquid-liquid extraction. The
extractor may have multiple feeds, with at least one feed to the top stage and another feed
to the bottom stage. The extractor has two products: a light-phase overhead product and a
heavy-phase bottom product. Theoretical stages are considered with a light and heavy
phase in equilibrium leaving each stage. A component purity or recovery specification for
each product stream may be entered. One feed or sidedraw or duty must be varied for
each specification made.
The K-value method must support the prediction of two liquid phases, i.e., must be of type
LLE, and must be a liquid activity method or advanced equation of state rather than a
generalized K-value predictor.
Conventions
Although liquid-liquid extraction units are generally not trayed, the LLEX COLUMN
borrows its nomenclature from conventional distillation, and theoretical stages are referred
to as trays. Thus, a TRAY=5 entry on the PARAMETER statement designates five
theoretical stages. Internal flows are referred to as the light (L1) phase and the heavy (L2)
phase respectively, with the light phase moving upward and the heavy phase moving
downward.
Input Description
COLUMN UID=uid, NAME=text
The COLUMN statement must appear as the first statement. All entries are general to all
unit operations, as described in Section 10.2.

PARAMETER TRAY=value, LLEX=20
DAMP=1.0, ERRINC=1.0, CUTOFF=1.0E –8

This entry is required and specifies the number of stages in the
TRAY column. Anywhere from one to unlimited stages are allowed.
PRO/II requires the theoretical number of stages.
LLEX Selects the LLEX algorithm. Supplying an integer argument
specifies the number of iterations.
DAMP Supplying a DAMP factor of less than 1.0 reduces the magnitude
of the composition update, from one iteration to the next, and may
increase the likelihood of convergence at the expense of CPU
time. The default is DAMP=1.0.
ERRINC This limits the size of the sum of the errors increase from iteration
to iteration. The default value is 100, which means that the sum of
the errors can increase two orders of magnitude between
consecutive iterations. Should the sum of the errors increase
beyond that, the step size is decreased. The ERRINC entry
restricts the initial diverging step from traveling so far that it can
not recover.
CUTOFF This entry controls the use of the damping factor. When the sum of
the errors is larger than the CUTOFF value, the damping factor
supplied by the DAMP keyword is used. Should the sum of errors
become smaller than the CUTOFF value, the default damping
8
factor of 1.0 is used. The default CUTOFF value is 1.0 x 10- . P P
Example: A liquid-liquid extractor with 7 theoretical stages is allowed a maximum

of 12 iterations.
PARAMETER LLEX=12, TRAYS=7

FEED sid, tno/...,SUPERCEDE=ON or OFF
U U
This statement is used to define all feeds to the column. Stream “sid” is fed to theoretical
stage “tno”. An unlimited number of feed streams are allowed. The SUPERCEDE option is
described in Section 12.1, Column Input.
PRODUCT OVHD= sid, value, BTMS=sid, value,
{L1PART= sid, tno, value/...},
{L2PART= sid, tno, value/...}
OVHD Identifies the overhead product stream.

BTMS Identifies the bottom product stream.
sid The stream identifier.
value A molar estimate of either the OVHD or BTMS product
rate. Only one of these, for either the overhead or bottom
product, is required.

L1PART, Identifies the partial draws of the light (L1) and heavy (L2) liquid.
L2PART
tno The tray draw number.
value The actual sidedraw rate in moles per unit time unless
the draw is declared as a variable on the VARY statement
in which case “value” is an estimate of the sidedraw rate.

TFLOW {NET(L1 or L2) = sid,tno/...,
TOTAL(L1 or L2) = sid,tno/...}
NET The net liquid flow from one tray to the next. For example,
NET(L1) specifies the pseudo stream to be the light liquid
leaving tray “tno”, not including product draws.
TOTAL The total liquid flow leaving a tray, including product draws.
Example: Set pseudo stream 21 equivalent to the net liquid flow of the heavy
liquid from tray 3.
TFLOW NET(L2)=21,3
Side Heaters/Coolers (optional)

DUTY idno,tno, value/...
(Duty in millions of energy/time units. HEAT is an alternate name for DUTY).
All heating and cooling duties are defined on the DUTY statement. An unlimited number of
duties may be defined, and multiple duties may be given on a single statement.
idno Heater/cooler DUTY identification number. This value is an
integer that permits the user to identify the duty elsewhere in
the input file. Although the idnos need not appear in
consecutive order, all the numbers from 1 to n must be used
where n is the total number of duties.
tno The tray on which the heater/cooler DUTY exists.
value The duty in millions of energy per time units. A negative value
is given for cooling duty. The value given is the actual value
used unless it is defined elsewhere as a specification variable
on VARY statement.

Example: A heater is placed on tray 1, a second heater on tray 10, and a third heater on
tray 21. The heater duties for trays 1 and 21 are defined as variables on the VARY
statement and do not require estimated duties. The side heater on tray 10 is fixed at 6.0
million energy/time units.
DUTY 1,1 / 2,10,6.0 / 3,21
VARY DUTY= 1,3

or
Column heat losses or gains per tray are defined with the QSPEC or QCOLUMN
statements. This feature is intended to simulate heat leakage to or from ambient
conditions. This differs from the DUTY statement in two important ways. First, the heat
transfer specified on the QSPEC or QCOLUMN statements covers a range of trays.
Second, only the heat transfer given on the DUTY statement may be varied within the
column algorithm as declared on the VARY statement.
QSPEC The heat loss (negative), or heat gain (positive) for each
individual tray. The loss/gain must be given for the top and
bottom trays. The individual loss/gain for trays not defined
are determined by linear interpolation using the data given
for the nearest tray above and below the tray in question.
Thus, the minimum data necessary is the duty for the top
and bottom tray.
QCOND The heat loss/gain for tray 1.
QREBO The heat loss/gain for tray N.
QCOL The total heat loss/gain for the column excluding tray 1 and
tray N if their respective heat loss/gain was specified. The
heat loss/gain for each tray will be defined as
(QCOL/NTRAYS), where NTRAYS is the number of trays in
the column, excluding tray 1 and tray N if QCOND and
QREBO are specified.
QTRAY The heat loss/gain for each tray.
Stage Pressure (required)

or
DPCOL(unit)= 0.0 or DP(unit)=value

The column pressure profile must be defined on either a PRESSURE or PSPEC
statement. The solution algorithm does not change the pressure profile.
PRESSURE The pressure is specified for each individual stage. Pressures

must be given for the top and bottom stages. The pressure
for stages not defined is determined by linear interpolation
from data given for the nearest stages above and below.
PSPEC The top pressure and pressure drop are specified. The
pressure profile varies linearly with respect to stage number
throughout the column.
PTOP The pressure at the top of the column.
DPCOL The pressure drop across the column.
or The pressure drop per stage.
DP
Example: The top of a liquid-liquid extractor has a pressure of 230 kPa, and the
bottom (at stage 20) has a pressure of 280 kPa. The following are three ways in
which this can be specified.
PRESSURE(KPA) 1,230/20,280
or
PSPEC PTOP(KPA)=230, DPCOL(KPA)=50
or
PSPEC PTOP(KPA)=230, DP(KPA)=2.777778

ESTIMATE MODEL= SIMPLE
Currently, the SIMPLE method is the only automatic profile generator available for the
LLEX in PRO/II. It assumes the liquid feed to the top is the L2 rate throughout the column,
and the liquid feed to the bottom is the L1 rate throughout column. The top and bottom
temperatures are estimated to be the top and bottom feed temperatures respectively, and
the temperatures profile is interpolated linearly as a function of stage number.
User-Supplied Profile Estimates (optional)

For most applications, the simple profiles provided by the initial estimate generator are
adequate. Sometimes a more detailed estimate is necessary. In general, the better the
flow profiles, the quicker and more certain the convergence.
TEMPERATURE (unit) tno, value/...,
The temperature profile is given on a stage by stage basis. PRO/II linearly interpolates the
initial temperatures for stages not estimated. When an ESTIMATE statement is used, the
stage temperatures given on the TEMPERATURE statement overwrite the estimated
values only on the stages supplied.

LIQUID(L1 or L2) tno, value/...,
The net molar liquid rate excluding liquid draws may be estimated by the user for each
stage. Stages not given are calculated via equal molal overflow. Currently, if liquid profiles
are provided, flow estimates for both phases are required. When an ESTIMATE statement
is used, the liquid flowrates given on the LIQUID statement overwrite the estimated values
only on the stages supplied.
CESTIMATE(L1 or L2) tno, x1, x2,.../...
Composition may be estimated for each stage on a mole fraction basis. The purpose is to
provide a closer starting point for algorithm in difficult cases. When CESTIMATE is given,
LIQUID flows must be given. Stages not given will be calculated via interpolation.
Example: Estimate the liquid and temperature profiles in the liquid-liquid extractor.
TEMPERATURE 1,200/21,230
LIQUID(L1) 2,420/21,450
LIQUID(L2) 1,500/20,550
Performance Specifications (optional – Section 10.4)

SPEC({CHANGE}) STREAM = sid, <property 1>, PHASE=L1 or L2,
The LLEX algorithm uses the generalized specification format documented in Section
10.4.
Table 12.9-1
Available Product and Internal Specifications
Product Specifications
RATE(basis,unit)
RATE(basis,unit), COMP=i,j
FRACTION(basis), COMP=i,j
PERCENT(basis), COMP=i,j
PPM(basis), COMP=i,j
Additional Specifications
TEMP(unit), TRAY=tno
Available <operators>
RATIO (alias DIVIDE)
The ADD, DIFFERENCE, and MULTIPLIER

operators are not allowed with LLEX.

Specification Variables (one for each SPECIFICATION statement)
VARYDUTY=idno,..., DRAW=sid,..., FEED=sid,...
The LLEX algorithm requires one specification variable statement for each specification.
They may all be given on the same VARY statement.
DUTY The heater duty corresponding to “idno” on the DUTY
statement is varied.
DRAW The draw rate for stream “sid” given as an L1PART or
L2PART on the PROD statement is varied.
FEED The feed stream “sid” mole rate is varied without changing
composition or thermal state.
Example: Vary heater duties 1 and 3 and draw stream DR1 in a liquid-liquid
extractor.
VARY DUTY= 1,3, DRAW= DR1

U U
PROPTABLES=BRIEF or PARTIAL or ALL,

U U
{DIAGRAM},
The PRINT statement selects the reports to be printed for output.
ITER Selects the level of intermediate output. For most LLEX

COLUMNS, set ITER to NONE or PARTIAL, which
generates the least amount of output. If the column is
converging poorly, increase this level of output to get
additional data for determining corrective action.
NONE Prints no intermediate results.
PART Prints a brief iteration report containing the error
sums. This is the default.
ESTI Prints profiles at the conclusion of the initial
estimate procedure and continues with the PART
iteration report.
ALL Prints profiles at the conclusion of each iteration.
PROPTABLE Selects the level of column property reports.
BRIEF Prints the basic column profile report including vapor
and liquid flowrates, temperatures, pressures, and duties.
PART Includes all BRIEF output. Also reports molecular

weight, actual densities, and volumetric flowrate.
ALL Includes all PART output. Also includes enthalpy
flows and standard densities.
DIAGRAM Prints a line printer diagram of the column profiles, including
tray-by-tray temperatures, pressures, and liquid and vapor
mole rates. Feed rates, product rates and heater/cooler
duties are also provided at the tray location. The width of
the report is 132 columns.
COMPOSITION Selects a stage by stage composition report on a mole (M)
and/or weight (WT) basis.
XYDATA Writes composition to an ASCII file. This keyword has no
impact on the standard output report.
KVALUE Reports K-values for each component on each stage. K-
values (distribution coefficients) for liquid-liquid systems are
analogous to K-values in VLE systems and are defined
xi , L1
by: K =
xi , L2
KEYL, These two entries are used to define a range of light key
KEYH components and heavy key components for additional tray
printout. The beginning and ending component numbers
for the light key and the heavy key are entered respectively.
If the ending component numbers are not entered, they
default to the beginning component numbers.

PLOT {PROFILE},{L1COMP=i,j/k,l/...},{L2COMP=m,n/o,p/...},{LOG},
{SFACTOR}
The statement may be used to select plots of column data. For column in which “KEYL”
and “KEYH” are specified on the “PRINT” statement, the separation factors will also be
plotted for ease in checking feed tray location.
PROFILE Presence of this keyword results in a plot of the tray
temperature, liquid, and vapor flow.
L1COMP The sum of the first liquid phase mole fractions for components
“i” through “j” will be plotted versus tray.
L2COMP The sum of the second liquid phase mole fractions for
components “m” through “n” will be plotted versus tray.
LOG The logarithms of the compositions requested by L1COMP and
L2COMP will be plotted.
SFACTOR Only the separation factors will be plotted. Note that KEYL and
KEYH must also have been supplied on the PRINT statement.

{<operator>,
The DEFINE format is fully documented in Section 10.5. The following LLEX properties
may be defined:
Table 12.9-2
Available LLEX DEFINE Properties
PTOP Top stage pressure
DPTRAY Pressure drop per stage
DPCOL Column pressure drop
Example: DEFINE the top pressure as the pressure in FLASH F1 plus 5 pressure units.
DEFINE the stage pressure drop as CALCULATOR CAL1 result R(3).
DEFINE PTOP AS FLASH=F1, PRES, PLUS, 5.0
DEFINE DPTRAY AS CALC=CAL1, R(3)
The tolerance definitions are given in Section 5, General Data Category . The
EQUILIBRIUM tolerance is analogous to the BUBBLE point tolerance for VLE
calculations.The defaults shown here occur when these values have not been globally
redefined in the General Data Category.
The LLEX tolerances can significantly affect final solution. Usually, the default tolerances
result in sufficient accuracy without incurring unreasonable CPU overhead. In the following
cases it may be necessary to tighten the tolerance:
1. The LLEX is in a calculation loop such as a recycle or controller. The external
loop in unable to converge because of inconsistent derivatives coming from the
LLEX unit.
2. The LLEX converges very slowly and the last “converged” iteration is only
marginally superior to the previous iteration. With this type of asymptotic
convergence pattern, a number of additional steps may result in a significant
departure from the “converged” iteration.
It is seldom advisable to loosen tolerances.

Example: Tighten the component balance to 0.0001.
TOLERANCE COMP=0.0001

The thermodynamic method set may be defined explicitly for any stage or group of stages.
setid The METHODS set defined in the
THERMODYNAMIC DATA category.
tno The last stage for which this set is
valid.
The METHOD set chosen must support LLE calculations. See Section 2.1,
Thermodynamic Data of the SIMSCI Component and Thermodyanmic Data Input Manual
for information on how to set up a thermodynamic set for LLE calculations.
If the METHOD statement is omitted, the default METHOD set is used.
Changes in enthalpy methods from stage to stage will result in unreasonable

temperature profile discontinuities.
Example: Use thermodynamic methods set S1 for stages 1 through 5, and S2
for stages 6 through 11.
METHOD SET=S1,5/S2,11
Examples
1: Simple Extraction Unit
The feed stream 1 is fed to the top (stage 1), and the solvent stream 2 is fed to the bottom
(stage 4). The extract is stream 13 and is estimated at 147 moles/hr. The raffinate is
stream 14. The column operates at 50 psia. The simple estimate generator is used to
initialize the profiles.
COLUMN UID=EXT1,NAME=LLEX-1
FEED 1,1/2,4
PRODUCT OVHD=13,147,BTMS=14
PARAMETER TRAY=4,LLEX
PSPEC PTOP(PSIA)=50
ESTI MODEL=SIMPLE
Figure 12.9-1
2: Vary Solvent to Meet Extraction Specification

A liquid-liquid extraction unit is used to extract component
4 from feed stream FD. The rate of the solvent feed
(SOLV) is varied to achieve a 15 kg-mole/hr recovery of

COLUMN UID=EXT4,NAME=LLEX-4
FEED FD,1/SOLV,7
component 4 in the extract (stream EXTR). The column operates at 720 kPa with a 22
kPa pressure increase to the bottom of the tower. The temperature and liquid profile
estimates are supplied by the user.
Figure 12.9-2


®
12.10 – RATEFRAC
U UP UP
ALGORITHM
Keyword Summary
COLUMN UID = uid, { NAME = text }

FEED sid, segno / ..., NOTSEPARATE, SEPARATE, U U
SUPERCEDE = ON or OFF
U U U U
PRODUCT OVHD(M or LV or GV or WT, urate) = sid, value, U U
BTMS(M or LV or GV or WT, urate) = sid, value,

U U
{ LDRAW(M or LV or WT, urate) = sid, segno, value / ..., }

U U
{ VDRAW(M or LV or GV or WT, urate) = sid, segno, value / ..., }

U U
{ WATER(M or LV or GV or WT, urate) = sid, 1, value }

U U
RATEFRAC® Pseudo Products (optional – Section 12.1 )

P P

PA(V or L) = sid, segno1, segno2 / ... } B B B B

PARAMETER SEGMENTS = value,
RATEFRAC = 30, DAMP = 1.0
RATEFRAC® Transfer Options (optional)

P P
RFTRANSFER SECTION = idno,

MTCORR = DEFAULT, or U U
MTSUBROUTINE = subroutine-name,
HTCORR = CHILTON, or U U
HTSUBROUTINE = subroutine-name,
IACORR=DEFAULT or ONDA or BRAVO or SCHEFFE, or
U U
®
Chapter 12.10 RATEFRAC ALGORITHM 447
IASUBROUTINE = subroutine-name
Column Hydraulics Calculations (required for non-equilibrium

segments)

U U

or

U U
U U
{ DIAMETER(VALVE or SIEVEHOLE or CAP, uflen) = value,


U U U U

ESTDIAM(uflen) = value, VAPVOLPCT(upct) = value,
RATEFRAC® Random Packing

P P
PACKING SECTION(idno) = segno1, segno2, TYPE = itype, SIZE(uflen) = value, B B B B

U U

U U

P P
FLEX = type,
or INTALOX = type,
U U

U U

Section 12.1)
CONDENSER TYPE = BUBB
or
TYPE = PART or MIXED or TFIX, TEMP(utemp) = value,
or
TYPE = PART or MIXED or DTBB, DT(utemp) = value,
and
{ PRES(upres) = value, TESTIMATE(utemp) = value }

For non-equilibrium segments only
DUTY( { L or V,} uduty) idno, segno, value, name/....
For all (equilibrium and non-equilibrium) segments
DUTY(uduty) idno, segno, value, name /...
®
For equilibrium segments, the duty applies to the total segment. For non-equilibrium
segments, the duty applies only to the liquid phase.
or
QCOL(uduty) = value or QTRAY(uduty) = value,
Reboiler (optional)
REBOILER TYPE = KETTLE

Requires at least one of RATE, TOTAL, TEMP or DT.
B B B B
{ PRES(upres) = value, PHASE = L or V,}

U U
and
U U
or TOTAL
or TEMP(utemp) = value or DT(utemp) = value

or
DPCOL(upres) = 0.0 or DPSEGMENT(upres) = value
For a kettle reboiler attached to the column at segment N, the pressures at

segment N and segment N-1 may be different.


U U U U

RRATIO=3.0 or REFLUX(umrate) = value
{ ITER = value }
RFESTIMATE { IEGBYPASS = NO or IEGBYPASS = YES,}

{ DESIGN = NO or DESIGN = YES,}
U U
LIQFLOWTRAN = STANDARD or SQUARE or LOGARITHMIC U U
VAPFLOWTRAN = STANDARD or SQUARE or LOGARITHMIC U U
IEGITERATIONS = 30, IEGTOLERANCE = 0.01, U U

{ LTEMPERATURE(utemp) segno, value /...,}
{ VTEMPERATURE(utemp) segno, value /...,}
{ ITEMPERATURE(utemp) segno, value /...,}
{ VAPOR(M or WT or LV or GV, urate) segno, value /...,}
U U
{ LIQUID(M or LV or WT, urate) segno, value /...,}

U U
{ CESTIMATE(L or V or IL or IV) U segno, x1, x2,... /... ,} (always mole fractions)

U B B B B
{ MTRATE(umrate) segno, x1, x2,... /...} B B B B

SPEC({CHANGE}) STREAM = sid, <property 1>, PHASE=T or L or V,
WET or DRY,
U U

SPEC({CHANGE}) <property 1>, PHASE = L or V, TRAY = segno,
WET or DRY,
SPEC({CHANGE}) REFLUX(M or WT or LV or GV) U U
or RRATIO(M or W or LV or GV), U U
WET or DRY, U U
®
VALUE = value, { ATOL = value or RTOL = value}

statement)
VARY DUTY = idno,..., DRAW = sid,..., FEED = sid,...

{ <operator>, value or <reference 2>, <property 2> }
Stage Efficiencies (optional – Section 12.1)

TEFF(MURPHREE or VAPORIZATION) segno, value /...
segno, cno, value{, cno, value …} / segno, cno, value{, cno, value ... }
EFACTOR value
Only equilibrium segments allow efficiencies.

U U
ITERATIONS = 10, HVARYFLAG = {0, 1}
Print Options (optional - ignored in sidetowers – Section 12.1)

U U
PROPTABLES = BRIEF or PART or ALL,

U U

U U

All the options on the PRINT statement are the same as for other column algorithms.
Refer to Section 12.1
RFPRINT { RFIEG = value, RFCALC = value, SPLITFRAC = NO or YES, U U

U U U U U U

U U U U
DPFLOOD = NO or YES, HTRATE = NO or YES,

U U U U

U U U U

U U U U

PLOT { PROFILE,} {XCOMP = i, j / k, l /...,} {YCOMP = m, n / o, p /...,}
{ LOG,} { SFACTOR }

HOMOTOPY SPEC = i, INITIAL = value, ITER = 10, HVARYFLAG = 0 or 1 U U

TFLOW {NET(V or L) = sid, segno /..., TOTAL(V or L) = sid, segno /...,
PA(V or L) = sid, segno1, segno2/... B B B B
however, care must be used not to destroy the problem overall mass balance.
®
RATEFRAC software allows an unlimited number of TFLOW streams.
P P
NET The net vapor or liquid flow from one tray to the next. For example,
NET(L) specifies the pseudo stream to be the liquid leaving tray
“segno”, not including product or pumparound draws.
TOTAL The total vapor or liquid flow leaving a tray, including product and
pumparound draws.
PA The liquid or vapor draw to a pumparound. tno1 is the draw tray
number, and tno2 is the return tray.
®
TOLERANCE EQUILBRIUM = 0.001, ENTHALPY = 0.001, KVALUE = 0.001

RFVLLETEST SEGMENT = segno1, segno2 / segno1, segno2 / …,

B B B B B B B B {SET=setid}
General Information
Summary
The RATEFRAC® algorithm is a non-equilibrium rate-based distillation model developed
P P
®
using technology licensed from KOCH-GLITSCH. RATEFRAC routines is based upon
P P
fundamental mass and heat transfer relationships, and assumes thermodynamic

equilibrium only at the vapor-liquid interface. It is useful for a wide variety of applications,
generally whenever nonidealities result in a departure from equilibrium.
®
Features unique to the RATEFRAC algorithm are described in detail throughout this
P P
section. Features shared with other algorithms are discussed in Section 12.1, Column
Input. The following discussion reviews the equilibrium stage model, introduces the
rate-based stage model, and then compares and contrasts the two models.
Equilibrium Stage Model

Traditional distillation simulators that use the (theoretical) equilibrium stage model
assume the liquid and vapor phases leaving each stage are in equilibrium. This
approach has several shortcomings. Because distillation column trays do not operate at
equilibrium, this assumption over-predicts the amount of separation that actually occurs.
To account for this over-prediction, practicing engineers routinely apply an efficiency to
limit the separations on the theoretical stages to better match actual stage separations.
There are many choices for efficiencies: overall, vaporization, Murphree, and Hausen
being representative. An overall efficiency is equivalent to setting all of the component
efficiencies to be the same value. While it is well known that individual component
efficiencies are not the same, this approximation is often used, and often gives
acceptable results. This is true for many hydrocarbon systems, where the components
are similar in structure and non-idealities are minimal.
A slightly more rigorous approach is to assign Individual (different) component
efficiencies to each component. Hausen efficiencies have the soundest theoretical
basis, but are very difficult to compute and seldom used in practice. Vaporization and
Murphree efficiencies are commonly used, but they usually apply the same value to
each component. This practice is popular because of difficulties in determining
accurate values for the individual component efficiencies. When pilot plant data is

available, it can serve as a basis for computing tray efficiency values, but pilot plants
are expensive. In addition, how these efficiencies scale is more art than science. When
chemical reactions are present, tray efficiencies are even more difficult to predict.
In real separation systems, the bulk vapor and liquid may be at significantly different
temperatures. The equilibrium model cannot handle this condition, since it assumes the
vapor and liquid are at the same (equilibrium) temperature.
RATEFRAC® Non-Equilibrium Stage Model

P P
The model developed by Krishnamurthy and Taylor for a non-equilibrium rate-based

stage seeks to address some of the shortcomings of the equilibrium stage model.
®
RATEFRAC software uses fundamental heat and mass transfer correlations to model the
P P
actual mass transfer on each stage. This completely avoids the need for overall or
component efficiencies.
The non-equilibrium stage model includes bulk liquid and vapor phases, as well as a
distinct interface where vapor-liquid equilibrium exists. Mass transfer between the bulk
liquid and bulk vapor phases occurs only through the interface. Refer to Figure 12.10-1.
Figure 12.10-1: Schematic Non-Equilibrium Stage

The model includes both convection and diffusion contributions. The driving forces for
mass transfer are the differences in chemical potentials between the interface and each
of the bulk phases. Among other advantages, this allows the bulk vapor and bulk liquid
to be at different (non-equilibrium) temperatures.
Note that the bulk liquid and bulk vapor phases in most cases have compositions and
temperatures that are different from the interfacial compositions and temperature.
(Pressure in all fluids and phases of the stage are uniform.)
®
Rate-based Sections
A section of a column contains one or more segments. Three input statements are
available to divide a tower into sections for rate-based calculations.
TSIZE Tray sizing (design) section
TRATE Tray rating section
PACKING Packed column section
Rate-based RATEFRAC® routines calculations take place only on segments included in
P P
one of these types of section. Any distillation stage not included in one of these sections
is an equilibrium stage, and does not participate in rate-based calculations. RATEFRAC® P P
always treats condensers and reboilers as equilibrium stages. They cannot be included in
one of these sections, and never are modeled using rate-based methods.
The column may be divided into as many sections as desired, so long as each section
includes at least one segment. A segment may be a member of no more than one
section. All segments in a section are contiguous; which means segments in one
section cannot interleave between segments in another section. Different sections in
the same column may be different types. TSIZE, TRATE, and PACKING sections may
be present in any combination.
All segments in a single section have the same configuration. For example, if a TSIZE
section contains a bubble cap tray, all segments in that section also must be bubble-cap
trays with the same tray diameter and the same bubble-cap diameter. As another
example, assume a random-packing section filled with (TYPE=1) IMTP metal packing
of size #40. All segments in the section would contain this packing. A new section
would be required to change the packing size, packing type, or the arrangement (from
random to structured).
Segments – Modeling Towers with Trays

In the rate-based RATEFRAC® model of a trayed column, a segment represents an
P P
actual tray rather than a theoretical tray. Typically, the bulk vapor and liquid are not in
equilibrium. There is no need of efficiencies to scale the separation to approximate
actual performance.
All trays (segments) to be modeled using the rate-based model must be part of either a
sizing or a rating section. The TSIZE and TRATE input statements subdivide the tower
into sections. They also assign segments to each section. Each section contains one
or more segments. All segments in a section have the same configuration
characteristics. For example, if one segment is a bubble-cap tray, all other segments in
that section also are bubble-cap trays. Any tray not included in a sizing or rating
section is calculated as an equilibrium stage. It cannot participate in the rate-based
calculations.
Segments – Modeling Packed Towers

RATEFRAC® software provides a real improvement in the modeling of packed towers by
P P
avoiding entirely the requirement to estimate HETP. RATEFRAC® models the actual
P P
®
mass transfer in each packed section. To model a packed tower, RATEFRAC software P P

requires the simulation to include at least one packed section. Typically, each packed
section is divided into ‘segments’. A segment is a specified height of packing that
represents one “stage” of the column. For example, assume a tower has 30 ft of packing
divided into 30 packed segments. The following snippet of input code illustrates this.
COLUMN UID = RF1Packed
PARAMETER SEGMENTS = 32, RATEFRAC = 30
PACKING SECTION = 2, 31, HEIGHT(FT) = 30.0
In this example, the PARAMETER SEGMENTS = 32 statement assigns 32 stages to
the column. The PACKING SECTION = 2, 31, statement assigns 30 stages (numbered
2 through 31) to the packed section. The HEIGHT = 30 clause declares the height of
the packed section to be 30 feet. Thus, each segment models the mass transfer that
occurs in 1 ft of packing.
To participate in rate-based calculations, a packed segment must be included in a
packed section of the tower. The PACKING input statement assigns packed segments
to a packed section. Packed segments not included in a packed section are considered
equilibrium stages, and do not participate in rate-based calculations.
A good rule of thumb for choosing the number of segments in a packed tower model is
to use the HETP value. If the HETP value is unknown, first assume a reasonable value,
solve the tower, and check the HETP value in the output report. This makes it simple to
revise the number of segments and rerun the simulation to compute a corrected HETP.
RATEFRAC® Thermodynamic and Physical Property Requirements

P P
Mass transfer rate-based modeling requires more data than an equilibrium stage model.
®
This is due to the heat and mass transfer relationships that RATEFRAC uses to model P P
a stage. The rate-based model requires correlations for binary mass transfer
coefficients and pure component binary component diffusion coefficients. Additionally,
interfacial area calculations require correlations that are specific to manufacturer’s trays
and pickings.
RATEFRAC® requires the following thermodynamic properties. These are the same as
P P
required by an equilibrium model:

Vapor and Liquid Fugacities
Vapor and Liquid Enthalpies
Vapor and Liquid Densities
Various other properties for design specifications
Additionally, the methods that compute heat and mass transfer coefficients require the
following properties:
Diffusivities
Surface Tension
Viscosities
Thermal Conductivities
®
RATEFRAC® software estimates vapor diffusivities using the correlation by Fuller et. Al.
P P
Refer to Industrial Engineering Chemistry, Vol. 58, #5, 1966 and also Diffusion of
Halogenated Hydrocarbons in Helium, Journal of Physical Chemistry, V73, #11, Nov
1969. The model estimates binary liquid phase diffusivities using the Wilke-Chang
model. It calculates multi-component liquid phase diffusivities using equation 4.2.18 page
91 of Multi-component Mass Transfer by Krishna and Taylor.
Modeling Interfacial Area, Mass and Heat Transfer of a Segment

Additional correlations are needed to calculate the following quantities:
Interfacial Area
Mass Transfer Coefficients
Heat Transfer Coefficients
Note that correlations for these quantities use data specific to the physical internals of
the distillation tower. In other words, each type of tray, and each type of structured or
random packing, uses a different correlation.
RATEFRAC® models each distillation segment as having a bulk vapor phase and a bulk
P P
liquid phase that are not in equilibrium with each other. It uses an interface to model all
mass and heat transfer between the bulk phases. The interface has its own vapor and
liquid phases that are in equilibrium. The interfacial area represents the contacting
surface area between the vapor and liquid. The interfacial area and the binary mass
transfer coefficients are used to compute the bulk mass transfer of each component.
Built-in correlations allow the RATEFRAC® algorithm to compute interfacial area, mass
P P
®
transfer rates, and heat transfer rates for each type of tower internal RATEFRAC P
supports. Mass-transfer correlations are specific to the type of internal structure under
P
consideration. KOCH-GLITSCH have supplied data for random and structured

packings used in the calculation of interfacial area and mass transfer.
The Chilton-Colburn analogy is used to compute heat transfer rates.
In addition to the built-in correlations, RATEFRAC® software allows users to implement
P P
and use their own correlations. New user-added subroutine capabilities support user-
defined correlations for interfacial area, mass transfer, and heat transfer. See the User
Added Subroutines Manual for examples and instructions to utilize user added
subroutines. RATEFRAC® software does not support In-line procedures at this time.
P P
Comparing Variables and Equations in RATEFRAC® to Equilibrium Models P P
Table 12.10-1 shows the variables required by the rate-based stage model compared to
a typical equilibrium stage model. Similarly, Table 12.10-2 compares the sets of
equations solved in the two models. To enhance the comparison, the tables do not
include design specifications.
Table 12.10-1
Variables Used in RATEFRAC® and Equilibrium Stage Models
P P

Number Required
Variables Used ®
RATEFRAC P P Equilibrium
Bulk Liquid component mole flow rates NOC NOC
Bulk Vapor component mole flow rates NOC NOC
Interfacial liquid component mole fractions NOC n/a
Interfacial vapor component mole fractions NOC n/a
Component mole fluxes NOC n/a
Temperature of stage (of interface in
® 1 1
RATEFRAC ) P P
Temperature of bulk liquid 1 n/a

Temperature of bulk vapor 1 n/a
Total number of variables 5 * NOC + 3 2 * NOC + 1
Table 12.10-2
Equations Used in RATEFRAC® and Equilibrium Stage Models
P P
Number Required
Equations Used ® Equilibriu
RATEFRAC
m
P P
Overall Component mass balance n/a NOC - 1

Bulk Liquid component mass balance NOC n/a
Bulk Vapor component mass balance NOC n/a
Vapor-Liquid Interface Equilibrium NOC NOC - 1
Bulk Liquid Mole Flux NOC - 1 n/a
Bulk Vapor Mole Flux NOC - 1 n/a
Energy balance 1 1
Sum(x) Interfacial liquid fractions 1 1
Sum(y) Interfacial vapor fractions 1 1
Liquid phase energy flux 1 n/a
Vapor phase energy flux 1 n/a
2 * NOC +
Total number of equations 5 * NOC + 3
1
®
Initial Estimate Generator
RATEFRAC® software generates initial estimates in two stages. First, RATEFRAC®
P P P
software uses the same PRO/II initial estimate generators that all the other column
P
algorithms use. Those generators use simple models to approximate the distribution of
mass throughout the tower. Using the mass distribution estimates, they then generate
initial mole fractions, flows, and temperature profiles.
By default, RATEFRAC® software first solves a distillation tower using equilibrium trays
P P
and ‘rating’ design specifications. For example, assume a two-product tower has two
®
purity specifications, and solves using the non-equilibrium model. RATEFRAC P
software first solves the column assuming each stage (or segment) is an equilibrium
P
stage, replacing the two purity specifications with reflux ratio and distillate rate
specifications. Also assume the user provided rough initial estimates for these
specifications. During a simulation execution, the equilibrium model solves to within a
(relatively loose) tolerance. Then, using those results, the actual non-equilibrium
calculations begin. The rate-based calculations restore the original user-specified
design specifications (i.e., the two purity specs in this example).
Note that if a packed column is being solved using segment heights that are much
smaller than the HETP, the solution of the equilibrium stage column may not provide a
good starting point for the non-equilibrium stage model. In this case, it may be
necessary to bypass the equilibrium solution to achieve convergence of the non-
equilibrium model.
As another example, consider a 30-foot high packed tower section with an HETP of one
foot. The packed bed is 30 ft high, so using 30 segments would be appropriate (to
match the HETP). Suppose an investigator wants to track some composition profiles
that are changing, but has no idea what the HETP should be, and specifies the number
of actual segments as 300. Now the height of each segment is only 0.1 ft. When the
equilibrium stage model solves with 300 equilibrium stages, it converges to a solution
that predicts much more separation than the 30 ft of packing for the non-equilibrium
model. In this scenario, it may be necessary to bypass the solution of the equilibriums
®
stage model used to initialize RATEFRAC . Because the initial estimate was omitted, it
P P
may be necessary to provide temperature and flow profile estimates.
The RATEFRAC® algorithm does not support the modeling of thermosiphon reboilers
P P
Only a simple “kettle” model is available at this time.
Limitations
Except for the decantation of pure water using the FREEWATER option on the
RFPARAMETER statement, the algorithm does not support two liquid phases. In such
cases, RATEFRAC® software ignores the KVALUE(LLE) designation in the
P P
thermodynamic METHODS set. To solve three-phase distillation problems, use the

CHEMDIST or SURE algorithms. In addition, water draws on any tray other than
tray 1 are invalid. To solve problems with free-water below the condenser, use the
SURE algorithm.

Input Description
Section 12.1, Column Input, describes most of the keyword input used by most of the
®
column algorithms. RATEFRAC software enhances many of the existing column input P P
statements, and introduces several new ones for its exclusive use. The remainder of this
section describes all the new input features used by RATEFRAC®. P P
®
RATEFRAC requires a significant amount of input data that is different from the
P P
existing equilibrium-based algorithms in PRO/II. Several modifications to the input

checking suppress the generation of errors when the input data includes features not
® ®
utilized by RATEFRAC . Conversely, the presence of many RATEFRAC -specific
P P P P
input statements also does not generate input errors when used with other algorithms.
This approach was adopted to facilitate changing the solution algorithm without
requiring extensive modification of the input data file. For example, to convert a
RATEFRAC® input file to the Enhanced IO algorithm, change the PARAMETER
P P
®
RATEFRAC statement to PARAMETER ENHANCEDIO. In many cases, this is the
P P
only change required.

FEED sid, segno / ..., NOTSEPARATE, SEPARATE, U U
SUPERCEDE = ON or OFF
U U U U
PRODUCT OVHD(M or LV or GV or WT, urate) = sid, value, U U
BTMS(M or LV or GV or WT, urate) = sid, value,

U U
{ LDRAW(M or LV or WT, urate) = sid, segno, value / ..., }

U U
{ VDRAW(M or LV or GV or WT, urate) = sid, segno, value / ..., }

U U
{ WATER(M or LV or GV or WT, urate) = sid, 1, value }

U U
The feed and product statements shown here are the only ones supported by
®
RATEFRAC . Their usage requirements are the same as for other column
P P
algorithms. Refer to section 12.1 for a thorough discussion of the available entries .
Column Pseudo Products (optional – Section 12.1)

PA(V or L) = sid, segno1, segno2 / ... } B B B B
The entries shown here are the only pseudo-product options supported by RATEFRAC®. P P
Section 12.1 discusses them in detail. Note: RATEFRAC® software does not support P P
thermosiphon reboiler pseudo-products.

PARAMETER SEGMENTS = value,
RATEFRAC = 30, DAMP = 1.0 U U
The PARAMETER statement sets the calculation algorithm to RATEFRAC® and P P
declares the number of distillation segments (stages) in the column. It also supports an
optional damping factor that may aid convergence in some cases.
®
SEGMENTS This entry is required and specifies the number of distillation
segments in the column, including the condenser and reboiler (if
present). One or more segments are required. Segments typically
®
correspond to actual trays in RATEFRAC (not theoretical trays).
P P
® ®
RATEFRAC P P Required to select the RATEFRAC algorithm. Supply an integer
P P
argument to specify the maximum number of trials. The default is 30

iterations.
DAMP Supplying a damping factor of less than 1.0 tends to improve the
likelihood of convergence, but usually increases the CPU time. (i.e.,
smaller steps tend to improve stability). Heavy-ends refinery
fractionators and non-ideal chemical columns are good candidates
for damping.
®
Example: A column with 25 trays is to use the RATEFRAC algorithm with a P P
maximum of 12 iterations. It also uses a damping factor of 0.7

PARAMETER RATEFRAC = 12, SEGMENTS = 25, DAMP = 0.7
Column Hydraulics Calculations (required – Section 12.7)

The TSIZE, TRATE, and PACKING statements activate rate-based calculations in a
®
RATEFRAC column. Only segments included on one of these statements perform
P P
rate-based calculations. All other segments are equilibrium stages, and solve using
equilibrium methods. Section 12.7 provides an extensive description of the input
requirements and options that are specific to RATEFRAC®. P P
Each TSIZE, TRATE, and PACKING statement identifies a single section of the tower.
A section may contain as few as one segment. A single tower may contain any number
of sections, so long as each section contains at least one segment. A segment cannot
appear in more than one section.
Every segment within a single section has attributes identical to those of all other
segments in that section. Among others, these attributes include section diameter, tray
type, packing type, packing size, and packing arrangement (structured or random). If
any attribute needs to be different, a separate section is required. Refer to section 12.7
– Column Hydraulics for a more complete description.
Condensers and reboilers always are equilibrium stages. They cannot be

present on any TRATE, TSIZE, or PACKING statement, and never solve using rate-
based calculations.
Pressure Profile (required – Section 12.1)

or

DPCOL(upres) = 0.0 or DPSEGMENT(upres) = value
The RATEFRAC® model requires input data that defines the pressure profile throughout
P P
the column. Rate-based calculations do not modify segment pressures. See section
12.1-Column Input for a comprehensive discussion of these statements.
RATEFRAC® Transfer Options (optional)

P P
RFTRANSFER SECTION = idno,

MTCORR = DEFAULT, or ROCHA or ONDA or SCHEFFE
U U
or CHAN or AICHE
or MTSUBROUTINE = subroutine-name,
HTCORR = DEFAULT, or CHILTON
U U
or HTSUBROUTINE = subroutine-name,
IACORR=DEFAULT or ROCHA or BRAVO or ONDA
U U
or SCHEFFE or CHAN or AICHE

or IASUBROUTINE = subroutine-name
The RFTRANSFER statement provides options for choosing the method used to
calculate the interfacial area, mass transfer, and heat transfer in one section of the
column. Defaults exist for all calculation methods. The DEFAULT option selects an
appropriate method based upon the internal configuration of the section of the tower.
SECTION Identifies the section of the column to which the RFTRANSFER statement
applies. The idno argument is the identification number of a section
declared on a TSIZE, TRATE, or PACKING statement. Refer to Section
12.7: Column Hydraulics. All segments in the section use the methods
specified on this statement.
MTCORR Selects a built-in correlation to compute mass-transfer rates for every
segment in the section. Each mass-transfer correlation typically applies
to a specific type of internal stage configuration. Table 12.10-3 shows the
applicability of each built in correlation. Choosing an inappropriate
correlation generates an error during input processing The “DEFAULT”
option automatically selects an appropriate correlation based upon the
internal configuration of the section.
®
Table 12.10-3
Applicability of Built-In Mass-Transfer Correlations
Internal
MTCORR = Correlation Reference
Configuration
Distillation Columns Containing Structured
Packings: A Comprehensive Model for
Their Performance. 1. Hydraulic Models
ROCH Structured Packing Rocha, Bravo and Fair, Ind. Eng. Chem.
Res. 1993, 32, 641-651 and 2. Mass
Transfer Models, Ind. Eng. Chem. Res.
1996, 35, 1660-1667
Mass Transfer Coefficients Between Gas
and Liquid Phases in Packed Columns,
ONDA Random Packing
Onda, takeuchi, Okumoto, J. Chem. Eng.
Japan, 1, 1, 1968, p56.
Scheffe, RD, Mass Transfer
Characteristics of Valve Trays, MS
SCHEFFE Valve Trays
Thesis, MS Thesis, Clarkson University,
1984
Prediction of Point Efficiencies on Sieve
Trays 1. Binary Systems, Chan, H and J.
CHAN Sieve Trays
R. Fair, Ind. Eng Chem Proc. Des. Dev.
23, p814, 1984
AICHE Report 1958, Grester, J.A., A. B.
AICHE Bubble-cap Trays Hill, N. N. Hochgraf and D. G. Robinson
Tray Efficiencies in Distillation Columns
DEFAULT Automatic Selects one of the above as appropriate
or
MTSUB Identifies a user-added subroutine instead of a built-in correlation to
perform the mass-transfer calculations. Refer to the “PRO/II User-Added
Subroutine Manual” for instructions and information.
IACORR Selects a built-in correlation to compute interfacial area for each segment
in the section. Each correlation typically applies to a specific type of
internal stage configuration. Table 12.10-4 shows the applicability of each
built in correlation. Choosing an inappropriate correlation generates an
error during input processing. The “DEFAULT” option automatically
selects an appropriate correlation based upon the internal configuration of
the section.

Table 12.10-4
Applicability of Built-In Interfacial Area Correlations
Internal
MTCORR = Correlation Description
Configuration
Distillation Columns Containing Structured
Packings: A Comprehensive Model for
Their Performance. 1. Hydraulic Models
ROCH1 P P Structured Packing Rocha, Bravo and Fair, Ind. Eng. Chem.
Res. 1993, 32, 641-651 and 2. Mass
Transfer Models, Ind. Eng. Chem. Res.
1996, 35, 1660-1667
Mass Transfer Coefficients Between Gas
1 and Liquid Phases in Packed Columns,
ONDA Random Packing
Onda, takeuchi, Okumoto, J. Chem. Eng.
P P
Japan, 1, 1, 1968, p56.

Generalized Correlation for Mass Transfer
BRAVO Random Packing in Packed Distillation Columns, Ind. Eng.
Chem. Proc. Des. Dev, 21, p162, 1982
Scheffe, RD, Mass Transfer
1 Characteristics of Valve Trays, MS
SCHEFFE Valve Trays
Thesis, MS Thesis, Clarkson University,
P P
1984
Prediction of Point Efficiencies on Sieve
1 Trays 1. Binary Systems, Chan, H and J.
CHAN Sieve Trays
R. Fair, Ind. Eng Chem Proc. Des. Dev.
P P
23, p814, 1984

AICHE Report 1958, Grester, J.A., A. B.
AICHE1 P P Bubble-cap Trays Hill, N. N. Hochgraf and D. G. Robinson
Tray Efficiencies in Distillation Columns
DEFAULT Automatic Selects one of the above as appropriate
1
P P Selected by the DEFAULT option for this type of internal configuration
or
IASUB Identifies a user-added subroutine instead of a built-in correlation to
perform the interfacial area calculations. Refer to the “PRO/II User-Added
HTCORR Selects a built-in correlation to compute heat transfer between the bulk
liquid and bulk vapor for each segment in the section. Typically, these
correlations apply to any type of internal stage configuration. Table
12.10-5 shows the applicability of each built in correlation. The
“DEFAULT” option automatically selects the CHILTON correlation.
®
Table 12.10-5
Available Built-In Heat Transfer Correlations
Internal
HTCORR = Correlation Description
Configuration
CHILTON1 P P All internal types Chilton-Colburn
DEFAULT Automatic Selects the Chilton-Colburn correlation
1
P P Selected by the DEFAULT option for this type of internal configuration
or
HTSUB Identifies a user-added subroutine instead of a built-in correlation to
perform the heat transfer calculations. Refer to the “PRO/II User-Added

Section 12.1)
CONDENSER TYPE = BUBB
or
TYPE = PART or MIXED or TFIX, TEMP(utemp) = value,
or
TYPE = PART or MIXED or DTBB, DT(utemp) = value,
and
{ PRES(upres) = value, TESTIMATE(utemp) = value }
All the usual condenser types offered by other PRO/II column models are available in
®
RATEFRAC . Refer to Section 12.1 – Column Input for a complete description.
P P
Condenser, Reboiler, Side Heater/Coolers (optional – Section 12.1)

For non-equilibrium segments only
DUTY( { L or V,} uduty) idno, segno, value, name/....
For all (equilibrium and non-equilibrium) segments
DUTY(uduty) idno, segno, value, name /...
The DUTY statement specifies the energy transfer rate for each condenser, reboiler,
heater, or cooler that has an invariant rate of heat transfer. If the duty is to be varied to
meet a performance specification, then that heater/cooler should appear on a VARY
statement and not here (on the duty statement). Enter the values of duty in millions of
energy/time units. Refer to Section 12.1 – Column Input for more information.
Reboiler (optional)
REBOILER TYPE=KETTLE
U

The kettle is the only type of reboiler that the RATEFRAC® model supports. There are
P P
no calculation options. A column allows only one reboiler. In a merged column, only the
main tower allows a reboiler. The reboiler requires a heater on the bottom stage of the
column. Use a DUTY statement to declare this association. If the REBOILER statement
is present, no pumparound to and from the reboiler (bottom stage) is allowed.
TYPE=KETTLE Defines the reboiler as a kettle; the only type supported by

RATEFRAC®. P P
Column Heat Loss/Gain (optional – Section 12.1)

or
QCOL(uduty) = value or QTRAY(uduty) = value,
For equilibrium segments, the duty applies to the total segment. For non-equilibrium
segments, the duty applies only to the liquid phase. A positive value indicates heat gain
(into a stage) while a negative value indicates heat loss (out from the segment). Values
have the dimensional units of duty entered as millions of energy/time units. Refer to
section 12.1 – Column Input for a complete description.

B B B B
{ PRES(upres) = value, PHASE = L or V,} U U
and
U U
or TOTAL
or TEMP(utemp) = value
or DT(utemp) = value
This card defines pumparounds (up the column) and bypasses (down the column).
RATEFRAC® supports TOTAL pumparounds, but does not support the LFRAC option.
P P
Exactly one of RATE, TOTAL, TEMP or DT is required on each PA statement. See

Section 12.1 – Column Input for a complete description.

U U U U

RRATIO=3.0 or REFLUX(umrate) = value
{ ITER = value }
®
The initial estimate generator options are the same for RATEFRAC® as for other PRO/II P P
column models. See Section 12.1 – Column Input for a full description of these entries.
CONVENTIONAL is the default IEG model for columns having both a

condenser and a reboiler. Otherwise, SIMPLE is the default.
RFESTIMATE { IEGBYPASS = NO or IEGBYPASS = YES,}

U U U U
{ DESIGN = NO or DESIGN = YES,}

U U
IEGITERATIONS = 30, IEGTOLERANCE = 0.01, U U
LIQFLOWTRAN = STANDARD or SQUARE or LOGARITHMIC

U U
VAPFLOWTRAN = STANDARD or SQUARE or LOGARITHMIC

U U
®
The initial estimate generator for RATEFRAC provides additional options not available
P P
®
for other PRO/II column models. Normally, the RATEFRAC initial estimate generator
P P
solves the column using the Enhanced IO algorithm, an equilibrium model. The options
on the RFESTIMATE statement control the IEG calculations.
IEGBYPASS Allows suppression of all IEG calculations. The default is NO, do not
bypass the IEG calculations. Use the YES option to suppress the IEG
calculations when restartng a previously solved flowsheet. Entering
IEGBYPASS with no argument is the same as IEGBYPASS = YES.
DESIGN This controls whether or not the column design specifications are
included in the IEG calculations. The default is DESIGN = NO, which
omits design specifications from the IEG. Entering DESIGN = YES, or
simply DESIGN with no argument, activates the column design
specifications in the IEG calculations.
IEGITER Specifies the maximum number of iterations allowed for IEG
calculations. The default is 30.
IEGTOL Specifies the convergence tolerance for IEG calculations. Once IEG
calculations have converged within this tolerance, the IEG calculations
terminate. This tolerance generally is loose, since the purpose of the
IEG is to generate reasonable data estimates before starting rate-based
calculations. The default tolerance is 0.01.
LIQFLOWTRAN Provides several options for extrapolating the liquid flow tran.
STANDARD Selects a linear (first order) correlation. This is the default.
SQUARE Performs the calculations using a quadratic (second order) method.
LOGARITHMIC Performs the calculations using a logarithmic method.
VAPFLOWTRAN Provides several options for extrapolating the vapor flow tran.
STANDARD A linear (first order) correlation. This is the default method.
SQUARE Performs the calculations using a quadratic (second order) method.

LOGARITHMIC Performs the calculations using a logarithmic method.

{ LTEMPERATURE(utemp) segno, value /...,}
{ VTEMPERATURE(utemp) segno, value /...,}
{ ITEMPERATURE(utemp) segno, value /...,}
{ VAPOR(M or WT or LV or GV, urate) segno, value /...,}
U U
{ LIQUID(M or LV or WT, urate) segno, value /...,}

U U
{ CESTIMATE(L or V or IL or IV)
U U segno, x1, x2,... /... ,} (always mole fractions)
B B B B
{ MTRATE(umrate) segno, x1, x2,... /...} B B B B
The purpose of user-supplied profile data is to provide a reasonable starting point for
®
IEG calculations. The RATEFRAC IEG is quite robust, and user-supplied profile
P P
estimates rarely are required. However, there are a few situations where they may be
useful. Refer to Section 12.1 – Column Input for a discussion of these circumstances.
The non-equilibrium RATEFRAC® model provides some profiles that are no available in
P P
other PRO/II equilibrium column models. This is necessary because the rate-based
calculations The RATEFRAC® algorithm does not support L1 or L2 phase composition
P P
estimates.
LTEMP Supplies an estimate of the bulk liquid phase temperature on each
segment.
VTEMP Supplies an estimate of the bulk vapor phase temperature on each
segment.
ITEMP Supplies an estimate of the interfacial temperature on each segment.
VAPOR Estimates the bulk vapor rate of each segment.
LIQUID Estimates the bulk liquid rate of each segment.
CESTI Allows estimating the composition of each component in each phase
of each segment. In all cases, supply the values as mole fractions.
(V) or Every CESTIMATE statement requires one of the four qualifiers to
(L) or select a fluid phase. Always supply values for the first and last
segments in the column that participate in (non-equilibrium) rate-
(IV) or based calculations. Data for segments between these two extremes
(IL) is generated by linear interpolation. Refer to the discussion in
Section 12.1- Column Input.
(V) Selects the bulk liquid phase of each segment.
(L) Selects the bulk liquid phase of each segment.
(IV) Selects the interfacial vapor phase of each segment.
(IL) Selects the interfacial liquid phase for each segment.
®
MTRATE Provides an estimate of the overall mass-transfer between the bulk
vapor and the bulk liquid of each segment. Positive values indicate
net transfer from the bulk liquid to the bulk vapor. Negative values
indicate net transfer from the bulk vapor to the bulk liquid.
Performance Specifications and Variables

SPEC({CHANGE}) <property 1> {, <operator>, <property 2>,}
VARY DUTY = idno,..., DRAW = sid,..., FEED = sid,...
RATEFRAC® software supports the same generalized specifications as the other PRO/II
P P
column models. Refer to Section 12.1-Column Input for an extensive of this feature.Main
columns merged with sidestrippers and siderectifiers solve as a single unit operation. The
number of SPEC statements may differ from the number of variables on the VARY
statement for each individual tower, but the total number of SPEC statements must equal
the total number of variables for the entire merged column.

DEFINE <property> AS <reference 1>, <property 1>,
{ <operator>, value or <reference 2>, <property 2> }
The DEFINE statement allows setting values for selected column parameters
dynamically during convergence calculations. Refer to Table 12.1-4 of Section 12.1-
Column Input for a list of available column parameters.
TBP Cut point Specification (not supported)

RATEFRAC® does not support cut point specifications.
P P
Homotopy Analysis (optional)

U U
ITERATIONS = 10, HVARYFLAG = 0 or 1

U U
SPECIFICATION This entry identifies one of the column specifications as the

target of the homotopy continuation calculations. The
“specno” argument must be a positive integer specification
number. The specification number is inferred from the order of

appearance of specifications listed for the column of interest,
starting at 1. For merged columns, each column section
requires its own homotopy statement that refers to an internal
SPEC in that section. There can be at most one homotopy
statement for any internal SPEC.
SPEC variable to be converged through homotopy.
ITERATIONS This entry requires a non-negative integer. This is the number
of homotopy iterations used to compute the final value for the
SPEC.
SPEC statement is altered by another unit operation (typically
a controller), then the homotopy iterations are carried out to
satisfy the altered SPEC as well. In this case, the INITIAL
value defaults to the last (converged) value. The number of
ITERATIONS is the same as specified earlier. The default
value for this flag is zero, which turns off the HVARYFLAG
option.
Print Options (optional - ignored in sidetowers – Section 12.1)

PRINT ITER=NONE or PARTIAL or ESTIMATE or ALL U U
PROPTABLES = BRIEF or PART or ALL, U U

U U

®
RATEFRAC supports the same print options as the other PRO/II column models.
P P
Section 12.1-Column Input describes these in detail.
RFPRINT { RFIEG = 3, RFCALC = value, SPLITFRAC = NO or YES, U U

U U U U U U

U U U U
DPFLOOD = NO or YES, HTRATE = NO or YES,

U U U U

U U U U

U U U U
®
The RFPRINT statement provides output report options that are available only for the
®
RATEFRAC column model. All entries on this statement are optional. Several of the
P P
options have defaults that generate a representative report.
RFIEG Reports results of the Initial Estimate Generator. Accepts values

from 0 (no report) to 10 (maximum detail). The default is 3,
resulting in a summary of IEG results.
RFCALC Prints a summary of calculation iteration results. Accepts values
from 0 (no report) to 10 (maximum detail). The default is 3,
resulting in a summary of IEG results.
SPLITFRAC
BULKCOMP Reports compositions of the bulk liquid and bulk vapor fluids. The
default value of NO suppresses this report. Entering the keyword
without an argument is equivalent to BULK = YES.
HETP Reports the computed Height Equivalent to Theoretical Plates of
segments in packed sections of the column. The default value of
NO suppresses this report. Entering the keyword without an
argument is equivalent to HETP = YES.
BUBBLE Generates a segment-by-segment summary report of the bubble
point conditions. The default value of NO suppresses this report.
Entering the keyword without an argument is equivalent to HETP =
YES.
DEW Generates a segment-by-segment summary report of the dew
point conditions. The default value of NO suppresses this report.
Entering the keyword without an argument is equivalent to HETP =
YES.
INTERFACE Prints a segment-by-segment report of the interface fluid. The
without an argument is equivalent to HETP = YES.
DPFLOOD Writes a segment-by-segment report of pressure drops (dP) and
(percentage) approach to flooding. The default value of NO
suppresses this report. Entering the keyword without an argument
is equivalent to DPFLOOD = YES.
DCOEF Reports the segment-by-segment binary component diffusion
coefficients used in the calculations. The default value of NO
suppresses this report. Entering the keyword without an
argument is equivalent to DCOEF = YES.
MTRATE Generates a segment-by-segment report of the calculated
component mass transfer rates between the vapor and liquid bulk
phases. The default value of NO suppresses this report. Entering
the keyword without an argument is equivalent to MTRATE = YES.
MTCOEF Writes a segment-by-segment report of the binary mass transfer

coefficients used. The default value of NO suppresses this report.
Entering the keyword without an argument is equivalent to
MTCOEF = YES.
HTRATE Reports the calculated heat transfer for each segment. The
without an argument is equivalent to HTCOEF = YES.
HTCOEF Prints a segment-by-segment report of the binary mass transfer
coefficients used. The default value of NO suppresses this report.
Entering the keyword without an argument is equivalent to
HTCOEF = YES.

PLOT { PROFILE,} {XCOMP = i, j / k, l /...,} {YCOMP = m, n / o, p /...,}
{ LOG,} { SFACTOR }
All the available options for plotting results are the same as those used by other PRO/II
column models. Refer to Section 12.1-Column Input for a detailed discussion of these
options.
Stage Efficiencies (optional – Section 12.1)

TEFF(MURPHREE or VAPORIZATION) segno, value /...
segno, cno, value{, cno, value …} / segno, cno, value{, cno, value ... }
EFACTOR value
The efficiency options available for RATEFRAC® software are the same as for other
P P
PRO/II column models. Refer to Section 12.1 – Column input for more information.
Only equilibrium segments allow tray efficiencies. Non-equilibrium segments

compute the actual efficiencies during calculations. Supplying efficiency for a non-
equilibrium segment generates an input error.

TOLERANCE EQUILBRIUM = 0.001, ENTHALPY = 0.001, COMP = 0.001
Only the EQUILIBRIUM, ENTHALPY, and COMP tolerances apply to rate-based
calculations. Refer to Section 12.1-Column Input for a description of all these options.
®
Each segment may use a different thermodynamic METHOD set. RATEFRAC (R) P
software considers only bulk liquid and vapor phases. It does not perform liquid-liquid
P
separations, so using VLLE thermodynamic methods is not necessary. Refer to

Thermodynamic Set Selection Section 12.1 for a description of this statement.
RFVLLETEST SEGMENT = segno1, segno2 / segno1, segno2 / …,

B B B B B B B B {SET=setid}
PRO/II initially determines whether a segment can exhibit two liquid behavior by means
(R)
of the thermodynamic method assigned to that segment. Since RATEFRAC software P P
normally considers only the bulk vapor and the bulk liquid, it normally uses VLE (as
opposed to
VLLE) thermodynamic method sets. The RFVLLETEST statement provides a
mechanism to test for the (potential) formation of two liquid phases on a segment-by-
segment basis. The presence of two liquid phases on a segment generates a warning.
This entry provides a mechanism to specify which segments to test.
SEGMENT
The segno1 and segno2 values are the first and last segment to be
segno1
B B B B
B B
tested. All segments between them are tested.

To skip testing of some segments, use more than one group of segno1
segno2
B B
B B
and segno2 pairs. Separate each group with a virgule (“/”).

B B
SET Use this entry to specify the thermodynamic METHOD set used to test
for the presence of two liquids.
The setid argument is the thermodynamic METHOD set ID to use for
setid testing. This should always be a VLLE method set.

Examples
12.10.1:
The objective of the column is to strip ammonia using water as an absorbant. In this
column, KOCH-GLITSCH supplied structured packing is used. A mixture of Air/Ammonia
is fed at 68F/15 Psia at the bottom of the column with a flowrate 314.25 lbmol/hr. The top
feed (water) is at 2514 lbmol/hr at 68F/15 Psia . This example rates the performance of a
column comprising of eight trays.
COLUMN UID=T1
PARAMETER TRAY=8,RATEFRAC
FEED TOPFEED,1/BTMFEED,8
PRODUCT OVHD(M)=OVHD,300,
BTMS(M)=BTMS
PSPEC PTOP=15
RFPRINT BUBBLE DEW MTRATE HTRATE
MTCOEFF HTCOEFF interface
PACK SECTION(1)=1,8, FLEXIPAC=F1X0
DIAMETER=48 HEIGHT(FT)=5.18
END
Figure 12.10.1
®
The page is intentionally left blank

13.1 – SIMPLE HEAT
U
EXCHANGER
Keyword Summary
HX UID=uid, {NAME=text},
{ZONES (OUTPUT or CALCULATION)=5}, {PLOT}
U U
Defining Hot and Cold Cells (required)

At least one HOT and one COLD cell are required.
HOT FEED=sid, {sid, . . .},
V=sid or L=sid ,{W=sid, S=sid},
or
V=sid, L=sid, {W=sid, S=sid},
or
M=sid, {W=sid, S=sid},
DP(unit)=0.0, {METHOD=setid}
COLD FEED=sid, {sid, ... },
or
or
Defining a Utility Side (optional)

The UTILITY statement may replace one HOT or COLD statement.
UTILITY WATER, TIN(unit)=value, TEMP(unit)=value
or
AIR, TIN(unit)=value, TEMP(unit)=value
or
STEAM, TSAT(unit)=value or PSAT(unit)=value
or
HEATINGMEDIUM=i,
TSAT(unit)=value or PSAT(unit)=value
or
REFRIGERANT =i, TSAT(unit)=value or PSAT(unit)=value

Chapter 13.1 SIMPLE HEAT EXCHANGER 477

Attaching to a Distillation Column (optional)
ATTACH COLUMN=uid,
TYPE=CONDENSER
or
TYPE=REBOILER
or
TYPE=PA, TRAY= tno
or
TYPE=SIDE, TRAY= tno, FTRAY=tno,
PHASE=V or L, {RATE(unit)=value}
Configuration Options (optional)

CONFIG UCOUNTERCURRENT or COCURRENT,
U
TPASS=2, SPASS=1, or FT=value,

{UAMAX(u unit, area unit)=value},
{U(unit)=value, AREA(unit)=value}
Specifying Performance (optional)

OPERATION DUTY(unit)=value or HOCI(unit)=value or
HICO(unit)=value or HOCO(unit)=value or
TMIN(unit)=value or MITA(unit)=value or
HTEMP(unit)=value or CTEMP(unit)=value or
HLFRAC(FRAC)=value or CLFRAC(FRAC)=value or
U U U U
HDTBB(unit)=value or CDTBB(unit)=value or
HDTAD(unit)=value or CDTAD(unit)=value or
UA(u unit, area unit)=value,
TOLERANCE=0.001

or
Valid <param> entries are listed in Tables 13.1-2A, 13.1-2B, 13.1-3A, and 13.1-3B.

METHOD SET=setid

General Information
The simple heat exchanger may be used to heat or cool a single process stream,
exchange heat between two process streams, or exchange heat between a process
stream and a utility stream. Additionally, either side of the exchanger may be attached to a
tray of a distillation column to exchange heat with a column internal tray stream.
The exchanger module determines product stream temperatures and allows separation of
products into a vapor and two liquid phases. When both sides of the exchanger are
defined, the following equation:
Q(duty) = U * AREA * LMTD
allows the calculation of additional data. Exchanger performance may be specified in a
variety of ways, as listed in Tables 13.1-2A and 13.1-2B. A rigorous heat transfer
coefficient (U-value) is not computed, but a value may be supplied along with exchanger
area to specify exchanger performance. When using a different type of specification, the
overall UA is computed and reported. Supplying either U or area results in a report of U,
area, and UA.
Options allow co-current operation or a variety of counter-current shell and tube
configurations. While co-current operation always assumes one tube and one shell pass,
counter-current operation (the default mode) also allows any number of passes in the ratio
of one shell pass to two tube passes (N:2N). Factor FT, based on the number of shell and
tube passes, corrects the exchanger LMTD for the shell and tube configuration.
Built-in data for steam, cooling water, and air allows direct calculation of the required
quantity of these utility fluids for a specified service. Optionally, any component may be
designated as a utility and its quantity computed.
The optional zone analysis calculates a duty weighted LMTD and issues warnings for an
exchanger exhibiting internal temperature crossover. Zone analysis may occur at
calculation time or output time. The default depends upon the type of specification and
may be overridden by the user in most, but not all, cases.
Input Description
HX UID=uid, {NAME=text},
{ZONES (OUTPUT or CALCULATION)=5}, {PLOT}
U U
The HX statement must appear as the first statement of each simple heat exchanger
module. The UID and NAME entries are general to all unit operations,
as described in Section 10.2.

ZONES The ZONES option computes a duty-weighted LMTD by
dividing the exchanger into at least 5 zones of equal duty.
The PRO/II Reference Manual more fully describes zone
analysis. Briefly, zone analysis is available only when both
sides of the exchanger are defined. When requested, five
zones are used, but the user may specify a greater number.
Automatic zone generation ensures that no zone accounts
for more than 20 percent of the total exchanger duty.
Automatic creation of additional zones always locates all
phase change points on zone boundaries. Warning
messages indicate any temperature crossovers.
MITA and zoned MTD specifications (available via the

CONTROLLER) require a zone analysis at calculation time
to reach a solution. Otherwise, no zone analysis occurs
unless requested by using the ZONES entry.
OUTPUT This qualifier requests zone analysis during

output generation only and is normally the default
setting. This option is ignored when using a MITA, or
zoned MTD specification, since these require zone
analysis to reach a solution.
CALC Entering this qualifier executes zone

analysis during solution of the heat exchanger
module. This can significantly increase the CPU time
for heat exchangers nested within recycle loops.
When possible, the user should choose the
OUTPUT option.
PLOT This option requests a plot of the zones analysis results.
Defining Hot and Cold Sides (conditional)

Each exchanger must have one or two defined sides. One-sided modules exchange
energy between a process stream and a theoretically infinite source or sink. Two-sided
models exchange heat between process streams and utility streams or column internal
tray streams. Table 13.1-1 lists all valid combinations of HOT, COLD, UTILITY, and
ATTACH statements allowed to define the sides of a heat exchanger.

TABLE 13.1-1
ALLOWED SIDE CONFIGURATION STATEMENTS
HOT COLD UTILITY side ATTACHed side
Cold Hot Cold hot
X - - - - -
X X - - - -
X - X - - -
X - - - X -
- X - - - -
- X - X - -
- X - - - X
- - X - - X
- - - X X -
- - - - X X

or
COLD V=sid or L=sid ,{W=sid, S=sid},
or
or
One HOT or COLD statement is required to define the feeds and products of a one-sided
exchanger. A module containing one HOT and one COLD statement simulates a
conventional heat exchanger. Other combinations, including utility or column internal tray
streams, are listed in Table 13.1-1.
HOT This keyword must appear as the first entry on a statement

designating streams that lose energy (cooling). The FEED and
product (V, L, or M) entries are required. Other entries are
optional.
COLD This keyword must appear as the first entry on a statement
designating streams that gain energy (heating). The FEED and
product (V, L, or M) entries are required. Other entries are
optional.
FEED This entry is required to declare at least one feed stream to the
HOT or COLD side of the exchanger. The number of allowed
feeds is unlimited.
V, L, These entries are required to declare the product streams.
or Usage is the same as on the PRODUCT statement described in
M Section 10.2. Valid combinations are V, or L, or V and L, or M.

W In water-hydrocarbon systems only, the W entry allows
specifying a second liquid-phase product containing decanted
free water. If this entry is missing, the water is included with the
liquid product. Rigorous modelling of two liquid phases is
possible by specifying VLLE thermodynamics on either or both
sides of the exchanger. Refer to Section 10.2 for a description
of how VLLE methods change the significance of the L and W
product entries.
S For systems with solids, the solids may be separated into a
stream designated by S. If S is not given, all solids will leave
the separator with the liquid phase stream.
DP This specifies the pressure drop through the HOT or COLD side
of the exchanger. The default is no pressure drop (DP=0.0).
METHOD When two or more thermodynamic methods are present in the
THERMODYNAMIC section of input, this entry allows selection
of the method used on one side of the exchanger. The HOT and
COLD statements may request different methods.
If a thermodynamic method is specified for the HOT

and/or COLD streams and for the entire heat exchanger, the
method declared on the HOT or COLD statement will override
the heat exchanger method for that stream.
Defining a Utility Side (optional)

The UTILITY statement may replace one HOT or COLD statement.
UTILITY WATER, TIN(unit)=value, TEMP(unit)=value
or
AIR, TIN(unit)=value, TEMP(unit)=value
or
STEAM, TSAT(unit)=value or PSAT(unit)=value
or
HEATINGMEDIUM=i,
or
REFRIGERANT =i,
One UTILITY statement may replace a HOT or COLD statement, as shown in
Table 13.1-1. When used, the heat exchanger module calculates the amount of utility fluid
required for the specified service. The second side of the exchanger must be defined with
a HOT, COLD, or an ATTACH statement.

WATER WATER or AIR designates the cooling medium as either
or water or air. When selecting either of these, both the TIN
AIR and TEMP entries must appear to specify the inlet and outlet
temperatures. Only sensible heat effects are considered
when using either option. WATER or AIR may serve only as
a cold side utility.
or This keyword designates saturated steam as the heating
STEAM medium. Either the saturation temperature or saturation
pressure (not both) must be supplied using the TSAT or
PSAT entry. STEAM may serve only as a hot side utility, and
only latent heat effects are considered.
or The HEATINGMEDIUM entry designates one component as
HEATING a vapor phase utility fluid at its dew point that gives up heat
or as it condenses. It may serve only as a hot side utility.
REFRIG REFRIGERANT designates a component as a liquid at its
bubble point that gains energy and vaporizes. It may serve
only as a cold side utility. For either option, the TSAT or
PSAT entry (not both) must supply the saturation
temperature or pressure. Only latent heat effects are
considered.
I The ‘i’ argument identifies the component selected

by the HEATINGMEDIUM or REFRIGERANT entry.
The component must be declared in the
COMPONENT DATA category of input.
TIN The TIN entry defines the inlet temperature, while TEMP
and specifies the outlet temperature of the utility fluid. Both
TEMP entries are required when the utility fluid is WATER or AIR;
otherwise, neither entry is valid.
TSAT TSAT provides the saturation temperature of the utility fluid,
or while PSAT supplies the saturation pressure. The entries
PSAT are mutually exclusive. One or the other is required with
STEAM, HEATINGMEDIUM, or REFRIGERANT as the
utility fluid; otherwise, neither is allowed.

ATTACH COLUMN=uid,
TYPE=CONDENSER
or
TYPE=REBOILER
or
TYPE=PA, TRAY= tno
or

The ATTACH statement links one side of a heat exchanger to a tray in a distillation
column in order to exchange heat between the vapor or liquid flow on a column tray and a
process or utility stream.
The thermodynamic method for the heat exchanger, and not the column, is used
to calculate properties for this attached column stream. To use the ATTACH option,
COLUMN input data must declare a heater-cooler on the tray to which the exchanger is
attached. An attached exchanger may invoke a special iterative procedure to enhance
convergence, as described in Section 17.4.
This entry identifies the column to which the exchanger is
attached. It is required.
COLUMN
TYPE The TYPE entry designates the method of attachment. It is
required.
CONDENSERThe exchanger models the column condenser.

or
REBOILER The exchanger models the column reboiler.
or
PA The exchanger models the heater-cooler of a
pumparound attached to a column tray. The
exchanger is attached to the tray designated by the
TRAY entry. Note that condensers and reboilers modelled in
the column with pumparounds (as with a thermosiphon
reboiler) should use TYPE=PA here.
or
SIDE The exchanger models a side heater-cooler.
The feed from the column tray must be one of the
following (1) the vapor or liquid of the tray to which the
exchanger is attached, (2) the vapor from the tray
below the attached tray, or (3) the liquid from the tray above
the attached tray.
TRAY This designates the tray used to attach the exchanger to the
column. It is required when TYPE=PA or TYPE=SIDE.
FTRAY FTRAY indicates the column tray that supplies the feed to the
exchanger. It is required when TYPE=SIDE; otherwise it is not
allowed. When the exchanger is attached to tray ‘n’ of the
column, FTRAY accepts values of ‘n’, ‘n+1’, or ‘n-1’, indicating
that the feed is taken from the attached tray (n), the tray below
the attached tray (n+1), or the tray above the attached tray (n-1).
PHASE This specifies the phase of the tray fluid used as feed to the
exchanger. It is required when TYPE=SIDE; otherwise it is

invalid. Valid options are V (vapor) or L (liquid). For attached tray
‘n’, if FTRAY= n+1, PHASE must be V; if FTRAY= n-1, PHASE
must be L.
RATE This optional entry is available only when TYPE=SIDE. It
specifies the rate of the feed from the tray to the heat exchanger.
The default basis is moles. If omitted, the total vapor or liquid
tray rate is used. If the specified value exceeds the rate available
from the tray, the total rate of the specified phase is used.
The column may determine the duty of the heater-cooler, in which case no performance
specification should appear in the heat exchanger input. Alternatively, the duty may be
determined from a specification on the heat exchanger. In the latter case, the heater-
cooler duty in the column cannot be used as a specification variable. Practically speaking,
column convergence is considerably enhanced when the column calculates the duty, and
no performance specification appears for the heat exchanger.
Configuration Options (optional)
CONFIG COUNTERCURRENT or COCURRENT,

U U
TPASS=2, SPASS=1, or FT=value,

{UAMAX(u unit, area unit)=value},
{U(unit)=value, AREA(unit)=value}
Data on the CONFIGURATION statement applies only to two-sided heat exchangers. All
entries are optional. If the statement is omitted, the exchanger runs in
COUNTERCURRENT mode, assuming one shell pass and one tube pass. Supplying
values for both the U value and AREA entries specifies the performance of the heat
exchanger. This is known as a ‘UA’ specification. In this case, the OPERATION statement
is not allowed, and no other specification is permitted.
COUNTER Either of these entries defines the flow configuration. The

or default COUNTERCURRENT requests counter-current
COCURRENT operation. COCURRENT specifies co-current flow (fluids on
both sides of the exchanger flow in the same direction).
TPASS, TPASS is the number of tube passes, and SPASS defines
SPASS the number of shell passes. When both TPASS and SPASS
are missing (or in any co-current exchanger), the default is
TPASS=2 and SPASS= 1. There are always two tube passes
for each shell pass except where overridden by the user. If
only SPASS is given, TPASS is set to twice the number of
shell passes for calculation of LMTD correction factors. If only
TPASS is given, SPASS is set to half of TPASS (or to one, if
TPASS=1). Except when TPASS = SPASS = 1, whenever
TPASS is not twice SPASS, TPASS is reset to twice SPASS
and a warning is issued.

or This is the LMTD correction factor used in a two-sided
FT exchanger. It should not be entered when supplying either
TPASS or SPASS. If missing, the exchanger module
calculates FT based on the shell and tube passes.
UAMAX The UAMAX entry imposes an upper limit on the heat transfer
of the exchanger. UAMAX should not be entered when using
a UA performance specification (by supplying both the U
value and AREA, or by supplying UA on the OPERATION
statement). For any other specification, UAMAX overrides the
specification as needed to limit the amount of transferred
heat.
U U supplies the value of the overall heat transfer coefficient,
AREA and AREA defines the effective heat transfer area of the
exchanger. Either entry may be used in any two-sided heat
exchanger.
Supplying values for both U and AREA defines a ‘UA’
performance specification. In this case, the OPERATION
statement must not define an additional specification. Also,
UAMAX does not apply and should be omitted.

OPERATION DUTY(unit)=value or HOCI(unit)=value or
HICO(unit)=value or HOCO(unit)=value or
TMIN(unit)=value or MITA(unit)=value or
HTEMP(unit)=value or CTEMP(unit)=value or
HLFRAC(FRAC)=value or CLFRAC(FRAC)=value or
U U U U
HDTBB(unit)=value or CDTBB(unit)=value or
HDTAD(unit)=value or CDTAD(unit)=value or
UA(u unit, area unit)=value,
TOLERANCE=0.001
The OPERATION statement specifies the desired value of a performance parameter. Only
one specification is allowed in each heat exchanger module. Specifications referencing
stream properties or parameters of other unit operations must be entered on DEFINE
statements. Exactly one operation specification must be provided.
TOLERANCE This is the convergence tolerance relative to the specification

value. The default value is 0.001.
The OPERATION statement must not be used in either of the following cases:

Values for both U value and AREA appear on the CONFIGURATION or DEFINE
statements. These define a ‘UA’ specification.
A DEFINE statement defines a specification parameter.
Table 13.1-2A lists specification parameters available in all heat exchangers, either one-
sided or two-sided. Table 13.1-2B lists additional specifications available only in
exchangers with two defined sides.
Table 13.1-2A
Specification Parameters Available In All Exchangers
Entered on the OPERATION Statement or a DEFINE statement
Entry Description
DUTY Overall exchanger heat duty in millions of energy units per
time unit
HTEMP Hot side product temperature
CTEMP Cold side product temperature
HLFRAC Hot side product molar liquid fraction

1.0 indicates bubble point liquid
0.0 indicates dew point vapor
CLFRAC Cold side product molar liquid fraction

1.0 indicates bubble point liquid
0.0 indicates dew point vapor
HDTBB Hot side temperature drop below bubble point
CDTBB Cold side temperature drop below bubble point
HDTAD Hot side temperature rise above dew point
CDTAD Cold side temperature rise above dew point

Table 13.1-2B
Specification Parameters Available Only In
Two-Sided Heat Exchangers
Statement Entry Description
HOCI Hot outlet - Cold inlet temp. approach
OPERATION HICO Hot inlet - Cold outlet temp. approach
or
DEFINE
HOCO Hot outlet - Cold outlet temp. approach
TMIN The minimum of either HOCI or HICO
MITA Minimum internal temperature approach
(Always performs a zone analysis)
UA Overall exchanger UA specification
CONFIGURE U Overall exchanger UA specification.
or and
DEFINE AREA

or
All entries listed in Tables 13.1-2A and 13.1-2B are valid <param> entries on DEFINE
statements. Additional parameters available on DEFINE statements are listed in Tables
13.1-3A and 13.1-3B. Multiple DEFINE statements are allowed. Refer to Section 10.5 for a
description of the DEFINE statement.
Only one parameter listed in Table 13.1-2A or 13.1-2B may appear on a DEFINE
statement. The only exceptions are the U and AREA entries on the CONFIGURATION
statement, which may be entered in addition to any specification available on the
OPERATION statement.

Table 13.1-3A
Additional Entries Allowed on DEFINE Statements
For One-Sided or Two-Sided Heat Exchangers
HOT HDP Hot side pressure drop
COLD CDP Cold side pressure drop
Table 13.1-3B
Additional Entries Allowed on DEFINE Statements
Available Only In Two-Sided Heat Exchangers
CONFIG FT LMTD correction factor

METHOD SET=setid
The METHOD statement allows selection of a single thermodynamic method set when two
or more sets appear in the Thermodynamic Data category of input. The selected set
applies to both sides of a two-sided exchanger. Use of the METHOD entries on the HOT
and COLD statements is preferred. Refer to Section 10.2 for information about defining
and selecting thermodynamic sets.
Examples
1: Process heater
Model a heat exchanger that mixes process streams 5 and 6 and heats them to 200° C
with a pressure drop of 20 psi. The products are vapor stream V1 and liquid stream L1.
Calculate the utility requirement of saturated steam entering at 300° C.
HX UID= HE01
COLD FEED= 5, 6, V= V1, L= L1, DP(psi)= 20
OPERATION CTEMP(C)= 200
UTILITY STEAM, TSAT(C)= 300

2: Two process streams - temperature approach specification
Exchange heat between hot stream H2 and cold stream RFLX using a hot outlet to cold
inlet temperature approach of 20° F. Assume a fixed overall heat transfer coefficient of
150 to compute the required heat transfer area. The pressure drop is half an atmosphere
on the hot side and 10 psi on the cold side.
HX UID= HX02
HOT FEED= H2, M= 7, DP(ATM)= 0.5
COLD FEED= RFLX, M= C2, DP(PSI)= 10
OPERATION HOCI(F)= 20
CONFIG U= 150
3: Two process streams - UA specification

Compute the LMTD and the temperature correction factor for an exchanger having two
shell passes and four tube passes. The hot feeds are streams 1 and 2, and the cold side
feed is stream 4. The overall heat transfer coefficient is 125 Btu/hr-ft2-F, and the effective
heat transfer area is 1850 square feet.
HX UID= H3
HOT FEED= 1, 2, L= 30, V= 31, DP= 8
COLD FEED= 4, L= 8, DP= 15
CONFIG U(BTU/H)= 125, AREA(FT2)= 1850, &
TPASS= 4, SPASS= 2
Since U AREA = 231250, an alternative input could be as follows. AREA is supplied only
to back-calculate the U value.
HX UID= H3
HOT FEED= 1, 2, L= 30, V= 31, DP= 8
COLD FEED= 4, L= 8, DP= 15
CONFIG AREA(FT2)= 1850, TPASS= 4, SPASS= 2
OPERATION UA(BTU/H, FT2)= 23150
4: Exchanger with zone analysis and DEFINE statements

Simulate a heat exchanger having a duty equal to the sum of the duties of heaters two
and three of distillation column T101. The effective heat transfer area is the same as
exchanger E2. The hot side pressure drop is 5 psi greater than the cold side pressure
drop of exchanger E2. Perform a zone analysis during output generation only, using a
minimum of seven zones to determine any internal pinch points.
HX
NAME= HEATEX-4, UID= HX4, ZONES(OUTPUT)= 7
HOT FEED= 1, M= 3
COLD FEED= 2, M= 4, DP= 6
DEFINE DUTY AS COLUMN= T101, DUTY(2), &
ADD COLUMN= T101, DUTY(3)
DEFINE HDP(PSI) AS HX= E2, CDP, ADD, 5
DEFINE AREA AS HX= E2, AREA

5: Column condenser simulated with ATTACH option
Simulate the condenser of column C01 using the ATTACH option, allowing the condenser
to be modeled as a heat exchanger. The hot side feed and product information are
automatically retrieved from the internal column, which connects automatically to the heat
exchanger. The hot side pressure drop is accessed automatically from the pressure drop
across the column condenser. The cooling water on the cold side is modeled using the
UTILITY option, where the flowrate is calculated based on an inlet temperature of 75° F
and an outlet temperature of 100° F.
COLUMN UID=C01
COND
TYPE=PARTIAL
...
HX UID=COND, NAME=C01-CONDENSER
ATTACH COLUMN=C01, TYPE=COND
UTILITY WATER, TIN=75, TEMP = 100


13.2 – RIGOROUS
U
HEAT EXCHANGER
Keyword Summary
HXRIG UID=uid, {NAME=text}, {PLOT}
Tube Configuration (required)

The TUBES statement is required. Both TNOZZLE and FINS are optional.
TUBES FEED=sid, {sid, . . .},

or
or
LENGTH(FEET)=20, OD(INCH)=0.75,
{ID(INCH)=0.584 or THICKNESS(unit)=value or
BWG=integer},
NUMBER=254, PASS=2, PATTERN=90,
PITCH(INCH)=1.0,
MATERIAL=CS ,
or
LABEL=text, DENSITY(LB/FT)=490.8,
CONDUCTIVITY(BTU/H)=30.0,
FOUL(HFF/B)=0.002, LAYER(unit)=0.0, {HI(unit)=value},

HSCALE=1.0,
{DPSHELL(unit)=value, or DPUNIT(unit)=value},
DPSCALE=1.0,
{METHOD=setid}, AROUGH=0.0 or RROUGH=value
FINS NUMBER=19, {AREA(unit)=value, HEIGHT(unit)=value,
{THICKNESS(unit)=value}, ROOT(INCH)=0.625
TNOZZLE ID(unit)=inlet, outlet or NONE

Chapter 13.2 RIGOROUS HEAT EXCHANGER 493

Shell Configuration (required)
The SHELL statement is required. HXCALC, BAFFLE, and SNOZZLE are
optional.
SHELL FEED=sid, {sid, . . .},

or
or
{ID(unit)=value}, SERIES=1, PARALLEL=1, SEALS=0,
MATERIAL=CS,
or
LABEL=text, DENSITY(unit)=0.0,
{FOUL(unit)=value}, LAYER(unit)=0.0,
{HO(unit)=value}, HSCALE=1.0,
{DPSHELL(unit)=value or DPUNIT(unit)=value},
DPSCALE=1.0,
{METHOD=setid}
BAFFLE {SEGMENT=SINGLE} {NTIW},
U U
or
{SEGMENT=DOUBLE},
CUT=0.20 or NFAR=value,
THICKNESS(INCH)=0.1875, {SHEET(unit)=value},
{SPACING(unit)=value, INSPACING(unit)=value,
OUTSPACING(unit)=value},
or
NONE
SNOZZLE TYPE=CONVENTIONAL, ID(unit)=inlet, outlet,
or
TYPE=ANNULAR, ID(unit)=inlet,outlet,
LENGTH(unit)=inlet, outlet, AREA(unit)=inlet, outlet,
CLEARANCE(unit)=inlet, outlet,
or
NONE

ATTACH COLUMN=uid,
TYPE=CONDENSER
or
TYPE=REBOILER
or
TYPE=PA, TRAY= tno
or

The TYPE, HXCALC, OPERATION, and PRINT statements are optional.
TYPE TEMA=AES, AREA(unit)=1000,
ORIENTATION=HORIZONTAL or VERTICAL,
U U
FLOW=COUNTERCURRENT, or COCURRENT,
U U
{UESTIMATE(unit)=value}, USCALE=1.0
HXCALC DPSMETHOD=BELL, STREAM, DPTMETHOD=BBM, HEX5,
U U U U
HTCMETHOD=CHEN, U HEX5, MODEL=HTRI or SIMSCI,

U U U
HOTSIDE = SHELL or TUBE

U U
OPERATION DUTY(unit)=value or STEMP(unit)=value,

or
TTEMP(unit)=value
PRINT {EXTENDED, ZONES}
DATA FILE = file name

or
Valid <param> entries are TTEMP, STEMP, or DUTY.

METHOD SET=setid

General Information
HXRIG is a rating model of a shell and tube heat exchanger, which combines rigorous
thermodynamics with a robust convergence algorithm. The module supports nearly all
TEMA shell-and-tube exchanger configurations. Heat transfer and pressure drops are
calculated rigorously. All phases and phase changes are handled correctly, including
condensing and vaporizing streams. Optional VLLE thermodynamics methods allow
rigorous three-phase distribution on both sides of the exchanger, with liquid phase
transport properties computed for a single bulk fluid.
Default values are provided for most entries; however, accurate modeling requires
definition of specialized geometries such as finned tubes, baffle configuration, and shell
and tube-side nozzles. Since precise knowledge of fouling factors and other details often
are not available, several scaling factors enable ‘fine-tuning’ of the model to match plant-
operating data.
VLLE Calculations
the V and L product entries on the TUBE and SHELL statements.
Input Description
HXRIG UID=uid, {NAME=text}, {PLOT}
This must be the first statement of each rigorous heat exchanger. All entries are
described in Section 10.2. The plot option requests a plot of the results created by the
ZONES option on the PRINT statement.
Tube Configuration
The TUBES statement is required. The FINS and TNOZZLE statements are optional.
TUBES FEED=sid, {sid, . . .},

or
or
LENGTH(FEET)=20, OD(INCH)=0.75,
{ID(INCH)=0.584 or THICKNESS(unit)=value or
BWG=integer},
NUMBER=254, PASS=2, PATTERN=90,
PITCH(INCH)=1.0,
MATERIAL=CS ,
or

LABEL=text, DENSITY(LB/FT)=490.8,
CONDUCTIVITY(BTU/H)=30.0,
FOUL(HFF/B)=0.002, LAYER(unit)=0.0, {HI(unit)=value},

HSCALE=1.0,
{DPSHELL(unit)=value, or DPUNIT(unit)=value},
DPSCALE=1.0,
{METHOD=setid}
The TUBES statement defines options and conditions on the tube side of the exchanger.
The minimum required entries are the FEED and product (V, L, M) keywords. Omit these
entries when attaching the tube side of the exchanger to a distillation column (see below).
FEED At least one feed stream label is required. All feeds are
mixed adiabatically at the pressure of the lowest individual
feed stream to determine the combined feed temperature.
V, L These keywords define the phase of each product stream: V
or for vapor, L for liquid, or M for mixed phase. If only one
M product is specified, the correct phase is determined and
overrides the phase implied by V, L, or M. Valid combinations
are V, L, V and L, or M.
W For water-hydrocarbon systems only, W may designate a
decanted water stream. If not specified, decant water is
included in the liquid product. When VLLE thermodynamics
apply, W allows input of the stream label for the second liquid
phase, normally aqueous. Refer to Section 21 for a
description of VLLE methods and usage.
LENGTH The nominal length of a tube in an exchanger bundle. For
straight tubes, tube length is measured as the distance from
the outer face of both tubesheets. For U tubes, tube length is
measured as the distance from the outer face of the
tubesheet to the last baffle normally placed at the tube
tangent line. See Figure 13.2-1. This entry is optional and
defaults to 20 ft in English units (6.1 meter in metric or SI).

Figure 13.2-1 Tube Length Definitions
OD This is the outside tube diameter. The default value is 0.75

inches in English units and 19.05 mm for metric or SI.
ID These mutually exclusive entries define the tube wall
thickness. ID is the inside tube diameter.
or Thickness is the tube wall thickness. Default dimensions are
THICKNESS inches in English units or mm for metric or SI.
or BWG is the Birmingham Wire Gauge. Bare tubes default
BWG ID=0.584 inches (14.834 mm), while finned tubes default to
0.496 inches (12.573 mm).
NUMBER This is the tube count per shell. For U-tube bundles, this
value is twice the number of U tubes. If not given, the
number of tubes is calculated from the area on the TYPE
statement and tube OD entries. If that AREA is also not
given, the tube count is calculated to fit in the given shell ID.
Default values are 254 bare tubes (or 96 finned tubes) per
bundle.
PASS The number of tube passes per shell is an integer between 1
and 16. If the number of tube passes and shell passes are
equal, pure countercurrent flow results, and the log-mean-
temperature difference (LMTD) correction factor (Ft) is 1.0.
The default is PASS=2.
PATTERN The angle between the shell-side fluid direction and the tube
rows defines the tube pattern. Refer to Figure 13.2-2.
Allowed values are 30, 45, 60, and 90. The default is
PATTERN=90.

Figure 13.2-2 Tube Patterns
PITCH The tube pitch is the center-to-center distance between

adjacent tubes. Default dimensions are inches for English
units and millimeters for metric and SI. The default is 1.0
inch (25.4 mm).
MATERIAL Select the tube wall material from the list in Table 13.2-1 to
assign the values for density and thermal conductivity of the
selected material. The default is carbon steel.
or To specify other materials and values, enter an eight-
LABEL character label for the material; then enter values for
DENSITY and CONDUCTIVITY.
and The density of the tube material has default dimensions of
DENSITY lb/ft3 in English units and kg/m3 for metric or SI units. Use
P P P P
this entry with the LABEL entry to specify a value not

available in Table 13.2-1. The value for carbon steel (CS) is
the default.
and Entering thermal conductivity is unnecessary when using the
CONDUCTIVITY MATERIAL entry. Use this entry with the LABEL entry to
supply a value not available in Table 13.2-1. When no
MATERIAL entry is present, the value for carbon steel is the
default.

Table 13.2-1
Material of Construction
MATERIAL DENSITY CONDUCTIVITY
3 3
Keyword Description Label lb/ft
P P kg/m P P Btu/ kcal/ W/m-
hr-ft-F hr-m-C K
CS Carbon Steel CARB STL 490.8 7862 30.0 44.6 51.9
CMS Carbon-moly Steel CARB MLY 493.2 7900 29.0 43.2 50.2
0.1C, 0.5 MO
CRMS Chrome-moly Steel CHRM MLY 490.1 7851 27.0 40.2 46.7
1.0 CR, 0.5 MO
LCRM Low Chrome Steel LOW 487.0 7801 25.0 37.2 43.3
2.25 CR, 1.0 MO CHRM
MCRM Med. Chrome Steel MED CHRM 480.7 7700 21.0 31.3 36.3
5.0 CR, 0.5 MO
SCR Straight Chrome STR CHRM 487.0 7801 14.0 20.8 24.2
Steel 12 CR
S304,SS 304 Stainless Steel 304 S.S. 501.1 8027 9.3 13.8 16.1
18 Cr, 8 Ni
S310 310 Stainless Steel 310 S.S. 501.1 8027 7.8 11.6 13.5
25 Cr, 20 Ni
17 Cr, 12 Ni
18 Cr, 10 Ni
A1H1 Aluminum 1060 A1060H14 170.0 2723 128.3 190.9 222.1
H14
A1AN Aluminum 1100 A1100 AN 169.3 2712 128.3 190.9 222.1
Annealed
A3H1 Aluminum 3003 A3003H14 171.1 2741 111.0 165.2 192.1
H14 Annealed
A3H2 Aluminum 3003 A3003H25 171.1 2741 111.0 165.2 193.1
H25 Annealed
A6T4 Aluminum 6061 A6061 T4 169.3 2712 95.0 141.4 164.4
T4 Tempered
A6T6 Aluminum 6061 A6061 T6 169.3 2712 95.0 141.4 164.4
T6 Tempered
CU, COPP Copper COPPER 556.4 8913 225.0 334.8 389.4
ASCU Arsenical Copper AS 560.0 8970 187.0 278.3 323.6
COPPER
CN91 Copper Nickel CUNI9010 559.0 8954 26.0 38.7 45.0
90/10
80/20
70/30
60/40
REDB, Red Brass 85 Cr RED BRAS 546.0 8746 92.0 136.9 159.2

Table 13.2-1
RBR5 15 Zn
ADMI Admiralty 71 Cu ADMRALTY 531.0 8506 64.0 95.2 110.8
28 Zn 1 Sn
COMB, Commercial Brass COM BRAS 529.0 8474 67.0 99.7 116.0
CBRS 55 Cu- 34 Zn
MUNT Muntz Metal 60 Cu MUNTZ 524.0 8394 71.0 105.7 122.9
40 Zn
ALBZ Aluminum Bronze AL BRONZ 510.0 8169 48.0 71.4 83.1
93 Cu 5 Al
ALBR Aluminum Brass 78 AL BRASS 520.0 8330 58.0 86.3 100.4
Cu 2 Al
NI, NICK Nickel Annealed NICKEL 556.4 8913 45.2 67.3 78.2
LCNI Low Carbon Nickel L CRB NI 554.7 8885 35.0 52.1 60.6
Annealed
MONE Monel Nickel MONEL NI 551.2 8829 14.5 21.6 25.1
70 Ni 30 Cu
INCN Inconel 600 76 Ni INCNL600 525.3 8414 8.7 12.9 15.1
16 Cr 8 Fe
TI, TITA Titanium Grade 2 TITANIUM 281.6 4511 9.5 14.1 16.4
FOUL The tube-side thermal fouling resistance has no effect on

pressure drop. Default values are 0.002 HFF/B (hr-ft2-ÉF P P
/Btu) for English units, 0.00041 HMC/K (hr-m2-°C/kcal) for

2
metric, and 0.36 MK/KW (m -K/kW) for SI.
P P
LAYER The tube-side fouling layer thickness has no effect on thermal

resistance, but does affect the pressure drop. Default
dimensions are inches for ENGLISH units and millimeters for
metric or SI. The default value is 0.0.
HI The tube-side film coefficient is not normally specified, since

it is calculated rigorously when not supplied. Default
2
dimensions are BTU/H (Btu/hr-ft -°F) for ENGLISH units,
P P
2 2
KC/H (kcal/hr-m -°C) for metric, and KJ/H (kW-m -K) for SI.
P P P P
HSCALE This multiplier adjusts the rigorously-calculated tube-side film

transfer coefficient (HI) to ‘fine tune’ the heat exchanger
model to match actual plant performance data. The default
value is 1.0.
DPSHELL DPSHELL specifies the tube-side pressure drop per shell,

or while DPUNIT specifies the pressure drop per multi-shell unit.
DPUNIT The default value is rigorously computed.

DPSCALE This multiplier adjusts the rigorously-calculated pressure drop
to ‘fine tune’ the model to match actual plant performance
data. The default value is 1.0.
METHOD The thermodynamic method set used on the tube side of the
exchanger may be selected with this entry. If missing, the
tube side uses the default set.
Figure 13.2-3 Tube Dimensions
Tube Fins (optional)

FINS NUMBER=19, {AREA(unit)=value, HEIGHT(inch)=0.0625},
{THICKNESS(unit)=value}, ROOT(INCH)=0.625
This statement specifies a radial, low-finned tube exchanger. With no FINS statement
entered, the default is a bare-tube configuration.
NUMBER This is the number of fins per inch of tube length. It is an integer, typically
between 11 and 26. The dimensions are always fins per inch, and the
default value is 19.
AREA The total outside surface area of the tubes, including both finned and bare
2 2
surface areas. Default dimensions are ft /ft in English units and m /m for
P P P P
metric or SI. When used, AREA overrides (a) the surface area entered on
the TYPE statement or (b) the area calculated from the dimensions of the
tubes. A default area is calculated from dimensions.
HEIGHT This is the fin height in inches for English units or millimeters for metric or
SI. The default is 0.0625 inches in English units or 1.59 mm for metric or
SI.

THICKNES This specifies the fin thickness in inches for English units, or millimeters for
S metric or SI. The default is 0.5 inch/NUMBER in English units or 12.7
mm/NUMBER for metric or SI.
ROOT Figure 13.2-3 illustrates the fin root diameter of a single tube. The default
is (OD-ROOT)/2 where OD is the tube outside diameter and ROOT is the
outside diameter.
Tube Nozzles (optional)

TNOZZLE ID(unit)=inlet, outlet or NONE
The optional TNOZZLE statement defines the inside diameter of the inlet and outlet tube-
side nozzles.
ID This entry specifies the inside diameters of the tube-side inlet
and outlet nozzles, respectively. Default dimensions are
inches in English units and millimeters for metric or SI. The
default is a calculated value based on fluid properties.
or This option indicates the absence of any tube-side nozzles,
NONE and all other entries are ignored. By default, the NONE
option is turned off.
Shell Configuration
The SHELL statement is required. The BAFFLE and SNOZZLE statements are optional.
SHELL FEED=sid, {sid, . . .},

or
or
{ID(unit)=value}, SERIES=1, PARALLEL=1, SEALS=0,
MATERIAL=CS,
or
LABEL=text, DENSITY(unit)=0.0,
{FOUL(unit)=value}, LAYER(unit)=0.0,
{HO(unit)=value}, HSCALE=1.0,
{DPSHELL(unit)=value or DPUNIT(unit)=value},
DPSCALE=1.0,
{METHOD=setid}
The SHELL statement defines various features and parameters on the shell side of the
exchanger. The minimum required entries are the FEED and product (V, L, M ) keywords.
Omit these entries when attaching the shell side of the exchanger to a distillation column
(see below).
FEED At least one feed stream label is required. All feeds are
mixed adiabatically at the pressure of the lowest individual
feed stream to determine the combined feed temperature.

V, L These keywords define the phase of each product stream: V
or for vapor, L for liquid, or M for mixed phase. If only one
overrides the phase implied by V, L, or M. Valid combinations
are V, or L, or V and L, or M.
included in the liquid product. When VLLE thermodynamics
apply, W allows input of the stream label for the second liquid
phase, normally aqueous. Refer to Section 21 for a
description of VLLE methods and usage.
MATERIAL Select the shell material from the list in Table 13.2-1 to assign
or a value for density. The default is carbon steel (CS). To
LABEL specify another material and density, enter an eight-character
and label for the material; then supply a value using the DENSITY
DENSITY entry. The default is carbon steel (CS). The density of the
shell material has default dimensions of lb/ft3 in English units
and kg/m3 for metric or SI units. Built-in values are shown in
Table 13.2-1 for each available MATERIAL. The value for
carbon steel (CS) is the default.
ID This is the inside diameter of the shell. Default dimensions
are inches for English units or millimeters for metric or SI. The
default is 23.0 inches (584.2 mm) for bare tubes and 15.0
inches (381.0 mm) for finned tubes.
SERIES This is the number of identical shells in series for this service.
The default is 1 shell. When using SERIES, both tube and
shell side streams are considered to be piped in series.
Asymmetric arrangements should be modeled as separate
exchangers. Refer to Figure 13.2-4A.
PARALLEL This is the number of identical shells in parallel for this
service. The default is 1 shell. When using PARALLEL, both
tube and shell side streams are considered to be piped in
parallel. Asymmetric arrangements should be modeled as
separate exchangers. Refer to Figure 13.2-4A..

Figure 13.2-4A Shells in Series and Parallel
SEALS The number of pairs of sealing strips per cross-flow pass may be
specified with this entry. Refer to Figure 13.2-4B. The default is zero.

Figure 13.2-4B Sealing Strips
FOUL The shell-side thermal fouling resistance has no effect on

2
pressure drop. Default values are 0.002 ft -hr-F for English
P P
2 2
units, 0.00041 m -hr-C/kcal for metric, and 0.00010 m -K/kW for
P P P P
SI.
LAYER The thickness of the shell-side fouling layer has no effect on
thermal resistance, but does affect pressure drop. Dimensional
units are inches in English units or millimeters for metric or SI.
The default value is zero.
HO The shell-side film coefficient normally is not specified, since a
2
value is calculated rigorously. Dimensional units are Btu/hr-ft -F P P
2 2
in English units, kcal/hr-m -C for metric, and kW-m -K for SI.
P P P P
HSCALE This multiplier adjusts the rigorously-calculated shell-side film

transfer coefficient to better match actual plant performance
data. The default is 1.0.
DPSHELL DPSHELL is the shell-side pressure drop per shell. DPUNIT is
or the shell-side pressure drop per multi-shell unit. These entries
DPUNIT are mutually exclusive. If neither is supplied, a value is
computed rigorously.
DPSCALE This multiplier adjusts the rigorously-calculated pressure drop to
more closely match actual plant performance data. The default is
1.0.
METHOD The thermodynamic method set used on the shell side of the

exchanger may be selected with this entry. If missing, the shell
side uses the default set.
Shell Baffles (optional)

BAFFLE {SEGMENT=SINGLE} {NTIW},
U U
or
{SEGMENT=DOUBLE},
CUT=0.20 or NFAR=value,
THICKNESS(INCH)=0.1875, {SHEET(unit)=value},
{SPACING(unit)=value, INSPACING(unit)=value,
OUTSPACING(unit)=value},
or
NONE
The BAFFLE statement defines various parameters relating to the exchanger baffles. All
entries on it are optional.
SEGMENT The number of segments (or cuts) for each baffle may be selected
with this option. Valid entries are SINGLE or DOUBLE. The
default is SINGLE.
NONE Use of this option indicates absence of baffles, and all other
entries are ignored. By default, NONE is turned off.
NTIW This keyword selects the No-Tubes-In-Window option. It is not
valid with double segmental baffles. The default assumes Tubes-
In-Window construction.
CUT Baffle CUT is the ratio of the height of the window to the shell
or inside diameter (see Figure 13.2-5). NFAR is the net free area
NFAR ratio, i.e., the net (without tubes) window area divided by the net
cross-sectional area of the shell. Either entry may be entered as
a percentage or as a fraction. For double segmental baffles, use
the height of only one of the windows to compute CUT. In other
words, for the same cut value, double-segmental baffles have an
NFAR value that is twice the value of that for single-segmental
baffles. See Table 13.2-2 for some typical values.
Table 13.2-2

Baffle CUT and NFAR Equivalences
CUT Single-Segmental Double-Segmental
Baffles NFAR Baffles NFAR
0.1 0.05 0.10
0.2 0.14 0.28
0.25 0.20 0.40
0.34 0.30 0.60
0.50 0.50 ——
Figure 13.2-5 Baffle Cut and NFAR
SPACING This is the center-to-center spacing between each central

baffle. Default dimensions are inches in English units and
millimeters for metric or SI. The default is 0.2 ID (the shell
inside diameter). Entering both INSPACING and
OUTSPACING forces adjustment of the SPACING value to
provide even spacing throughout the exchanger.
INSPACING INSPACING defines the center-to-center spacing between
OUTSPACING the tube-sheets and inlet baffles. OUTSPACING defines the
center-to-center spacing between the tube-sheets and outlet
baffles. When one or both of these entries are missing, the
default logic is this: If the SPACING entry is used, inlet
and/or outlet spacing is adjusted to fit. If SPACING is not
used, the default is 5.00 inches (133.0 mm) for bare tubes,
and 3.00 inches (88 mm) for finned tubes. Entering both
INSPACING and OUTSPACING adjusts the center-to-center
spacing between central baffles to provide even spacing
throughout the exchanger. In this case, any value supplied

by the SPACING entry is ignored.
THICKNESS This entry specifies the thickness of a single baffle. The
default is 0.1875 inches (4.763 mm).
SHEET The thickness of each of the two tube sheets in inches for
English units or millimeters for metric or SI. A TEMA
calculated value is the default.
Shell Nozzles (optional)

SNOZZLE TYPE=CONVENTIONAL, ID(unit)=inlet, outlet,
or
TYPE=ANNULAR, ID(unit)=inlet,outlet,
LENGTH(unit)=inlet, outlet, AREA(unit)=inlet, outlet,
CLEARANCE(unit)=inlet, outlet,
or
NONE
The SNOZZLE statement defines the inside diameter of the inlet and outlet shell-side
nozzles. Various parameters for annular nozzles may be specified. All entries are
optional. If not supplied, values are calculated as required.
NONE This option indicates the absence of any shell-side nozzles, and
all other entries are ignored. By default, NONE is turned off.
or Valid options for nozzle type are CONVENTIONAL (default) or
TYPE ANNULAR. Refer to Figure 13.2-6.
Figure 13.2-6 Annular Distributor Design

ID ID allows specifying the inside diameter for inlet and outlet
nozzles (dn in Figure 13.2-6). Default dimensions are inches in
B B
English units and millimeters for metric or SI. Default values

are calculated based on fluid properties for conventional
nozzles.
LENGTH For annular nozzles, LENGTH specifies the inlet and outlet
annular passage lengths (Ln in Figure 13.2-6). Default
B B
dimensions are inches for English units and millimeters for

metric or SI.
AREA This entry defines the groove areas for inlet and outlet annular
nozzles (n*Lg*Wg in Figure 13.2-6, where n is the number of
B B B B
grooves for inlet or outlet). Dimensions are square inches in

English units and square millimeters for metric or SI.
CLEARANCE CLEARANCE specifies the annular-shell wall clearances for

inlet and outlet shell-side nozzles (δa in Figure 13.2-6). Default
dimensions are inches in English units and millimeters for
metric or SI.

ATTACH COLUMN=uid,
TYPE=CONDENSER
or
TYPE=REBOILER
or
TYPE=PA, TRAY= tno
or
The ATTACH statement links one side of a heat exchanger to a tray in a distillation
column to exchange heat between the vapor or liquid flow on a column tray and a process
or utility stream. Either the TUBE or SHELL side of the exchanger may be attached — not
both.
The program automatically determines the feeds and products of the attached side, and
any feed or product declarations on an attached side of the heat exchanger are ignored.
When attaching the TUBE side to a column, the TUBE statement should not include any
feed or product entries (FEED, V, L, M, or W). If attaching the SHELL side to a column,
the SHELL statement should not include any feed or product entries (FEED, V, L, M, or
W). In all other respects, the TUBE or SHELL statement (appropriate to the attached side
of the exchanger) may be used in a normal manner to define all other configuration
parameters.
To use the ATTACH option, COLUMN input data must declare a heater-cooler on the tray
to which the exchanger is attached. An attached exchanger may invoke a special iterative
procedure to enhance convergence, as described in Section 17.4.

COLUMN This entry identifies the column to which the exchanger is
attached. It is required.
TYPE The TYPE entry designates the method of attachment. It is
required.
CONDENSERThe exchanger models the column
condenser.
or
REBOILER The exchanger models the column reboiler.

or
PA The exchanger models the heater-cooler of a
pumparound attached to a column tray. The exchanger
is attached to the tray designated by the TRAY entry.
Condensers and reboilers modeled in the column with
pumparounds (as with a thermosyphon reboiler) should use
TYPE=PA here.
or
SIDE The exchanger models a side heater-cooler. The
feed from the column tray must be one of (1) the vapor
or liquid of the tray to which the exchanger is attached, (2)
the vapor from the tray below the attached tray, or (3) the
liquid from the tray above the attached tray.
TRAY This designates the tray used to attach the exchanger to the
column. It is required when TYPE=PA or TYPE=SIDE.
FTRAY FTRAY indicates the column tray that supplies the feed to the
exchanger. It is required when TYPE=SIDE; otherwise, it is
not allowed. When the exchanger is attached to tray ‘n’ of the
column, FTRAY accepts values of ‘n’, ‘n+1’, or ‘n-1’,
indicating that the feed is taken from the attached tray (n), the
tray below the attached tray (n+1), or the tray above the
attached tray (n-1).
PHASE This specifies the phase of the tray fluid used as feed to the
exchanger. It is required when TYPE=SIDE; otherwise, it is
invalid. Valid options are V (vapor) or L (liquid). For attached
tray ‘n’, if FTRAY= n+1, PHASE must be V; if FTRAY= n-1,
PHASE must be L.
RATE This optional entry is available only when TYPE=SIDE. It
specifies the rate of the feed from the tray to the heat
exchanger. The default basis is moles. If omitted, the total
vapor or liquid tray rate is used. If the specified value
exceeds the rate available from the tray, the total rate of the
specified phase is used.

The duty of the heater-cooler may be determined by the column, in which case no
performance specification should appear in the heat exchanger input. Alternatively, the
duty may be determined from a specification on the heat exchanger.
In the latter case, the heater-cooler duty in the column cannot be used as a specification
variable. Practically speaking, column convergence is considerably enhanced when the
column calculates the duty, and no performance specification appears for the heat
exchanger.

The TYPE, HXCALC, OPERATION, and PRINT statements are optional.
TYPE TEMA=AES, AREA(unit)=1000,
ORIENTATION=HORIZONTAL or VERTICAL,
U U
FLOW=COUNTERCURRENT, or COCURRENT,
U U
{UESTIMATE(unit)=value}, USCALE=1.0
This statement defines items general to the heat exchanger. All entries are optional.
TEMA This entry allows designation of the TEMA type, as defined by

The Standard of Tubular Exchanger Manufactures
Association, Sixth Edition, 1978. A three or four alphabetic
character code designates the front end head type, the shell
type, and the rear end head type, respectively. Refer to
Figure 13.2-7.
For J-type (divided flow) shells, enter J1 (or J) for a

one inlet and two outlet nozzle arrangement; enter J2 for a
two inlet and one outlet nozzle arrangement.
The default is TEMA=AES, where:

A = Front end head with channel and removable cover.
E = One pass shell.
S = Rear end floating head with backing device.

Figure 13.2-7 TEMA Designation

ORIENTATION The physical orientation of the exchanger. Allowable entries
are VERTICAL or HORIZONTAL (the default).
FLOW FLOW specifies the direction of fluid flow. Allowable entries
are COUNTERCURRENT (the default) or COCURRENT.
AREA The effective area per shell is the total area on the outside
diameter of the tubes, minus the area covered by the thickness
of the tubesheets. For finned tubes, this value also includes
the total finned surface area. If sufficient information is given
elsewhere in the input to determine tube count and tube OD,
2
AREA is calculated. Otherwise, the default is 1000 ft in P P
English units (92.9 m2 for metric or SI).

UESTIMATE UESTIMATE is the initial estimate for U-value, in heat transfer
dimensions. The default is 50 Btu/hr-ft2-ÉF in English units,
P P
244.1 Kcal/hr-m2-°C for metric, or 1021.9 kJ/hr-m2-K for SI.

P P P P
USCALE A multiplier applied to the rigorously computed U-value.

USCALE scales the model to match actual plant performance
data. The dimensionless default is 1.0.
HXCALC DPSMETHOD=BELL or STREAM,
MODEL=HTRI or SIMSCI,
U U
HOTSIDE = SHELL or TUBE

U U
This statement allows selection of options used in the calculation procedure. If used, the
DPSMETHOD entry is required.
DPSMETHOD Shellside pressure drop prediction method. The selection of
BELL results in the Bell-Delaware method of pressure drop
prediction. STREAM selects the stream analysis technique of
Wills and Johnston (1). Refer to the PRO/II Reference Manual
for more information.
Reference: (1) Wills, M.J.N., and Johnston, D., A New and
Accurate Hand Calculation Method for Shellside Pressure
Drop and Flow Distribution, presented at the 22nd Heat
Transfer Conference and Exhibition, Niagara Falls, N.Y., 1984.
MODEL MODEL specifies the simulation model to be used for the
calculations. SIMSCI (default) is used for Pro/II simulation
model and HTRI is used for XIST simulation model.
HOTSIDE HOTSIDE specifies the side which is having hot fluid.
Allowable entries are SHELL (the default) or TUBE . This is
applicable only when the MODEL is HTRI. Based on this, the
shell side and tube side processs data are transferred to
HTRI’s hot side and cold side.

OPERATION DUTY(unit)=value or STEMP(unit)=value or
TTEMP(unit)=value
This statement allows specifying the duty, shell-side outlet temperature, or tube-side outlet
temperature. This results in a fixed duty transfer between the two sides of the exchanger.
Rigorous rating calculations determine and report the area required to achieve the
specified duty, assuming the fouling factor remains constant. The results report includes
the overall fouling factor required when assuming constant area. This is useful in
reconciling results with actual plant data. Product stream states are determined by fixed
enthalpy flashes at the specified duty. When the OPERATION statement is missing, duty
is calculated rigorously. HXSPEC is an alias for OPERATION.
DUTY Heat exchanger duty in millions of energy units.

or
STEMP Outlet temperature of shell-side product stream.
or
TTEMP Outlet temperature of tube-side product stream.
PRINT {EXTENDED, ZONES}

The PRINT statement allows selection of various additional output reports. The default
printout contains limited process stream information and a minimal summary of exchanger
results, including a TEMA data sheet.
EXTENDED The EXTENDED option provides additional detailed

information about stream properties, heat exchanger
configuration, and hydrodynamics. None of this data appears
in the default report.
ZONES The ZONES option displays the phase and zone boundaries
used to calculate the duty-averaged log-mean-temperature
difference (LMTD). The number of zones cannot be
specified.
Zone analysis will not be performed unless a stream changes phase.
DATA FILE = file name
FILE File specifies the HTRI file, which is having the input data

or
Valid <param> entries are TTEMP, STEMP, or DUTY.
Table 10.3-3C lists all input parameters that may be defined relative to any available
stream/tray property (Tables 10.3-2 A-B) or unit parameter (Tables 10.3-3 A-H). Examples
are given at the end of this section. Refer to Section 10.5 for a discussion of the DEFINE
construct.

METHOD SET=setid
This statement is optional. Any indicated thermodynamics methods set applies to both the
shell and tube sides of the exchanger. It may be overridden by using the METHOD
entries on the SHELL and TUBE statements.
Examples
1: AES Heat Exchanger Rating
Model an AES type heat exchanger having cold stream CLD1 feeding the shell side, and
hot stream HOT1 entering the tube side. The 23.25 inch inside diameter shell has 13.25
inch diameter nozzles. Space the single segmented baffles 17.6 inches apart with a cut of
25.5%. The 499 carbon steel tubes have an outside diameter of 0.75 inches, walls that
are 0.049 inches thick, and a length of 11.73 feet. The tubes are oriented at 30 degrees
with respect to shell-side flow on a pitch of 0.9375 inches. Print the extended set of
hydrodynamic properties in addition to the usual summary and TEMA specification sheet.
HXRIG UID=HXR1, NAME=STEX
TYPE TEMA=AES
SHELL FEED=CLD1, M=CLD2, ID=23.25
BAFFLE SPACING=17.6, CUT=25.5, SEGMENT=SINGLE
SNOZZLE ID=13.25, 13.25
TUBES FEED=HOT1, M=HOT2, OD=0.75, THICKNESS=0.049, &
LENGTH=11.73, PATTERN=30, PITCH=0.9375, &
NUMBER=499, MATERIAL=CS
PRINT EXTENDED
2: AJS Heat Exchanger with Calculated Fouling Factor

Use a horizontal AJS type exchanger to condense stream 1 on the shell side, with stream
100 on the tube side. There are two tube passes of 16 foot long carbon steel tubes

oriented at 90 degrees to the shell-side flow. The inside diameter of each of the 448 tubes
is 0.62 inches, and the outside diameter is 0.75 inches on a pitch of one inch. The tube-
2
side fouling factor is 0.0015 ft -hr-F/Btu, with a thermal conductivity of 32 Btu/hr-ft-F. The
P P
tube-side nozzles are 6 inches. The carbon-moly steel shell has an I.D. of 27.7 inches, an
effective area of 1367 ft2, and a fouling factor of 0.001 ft2-hr-F/Btu. The baffle cut is 0.25,
P P
with baffles spaced every 11.6 inches. The shell-side inlet nozzle is 6 inches, while the
outlet nozzle is 4 inches. Specify a duty of 3.5 million Btu to obtain a calculated value of
the fouling factor. Use the default thermodynamics methods set for the tube side, and set
TMS1 for the shell side. Report the extended set of hydrodynamics properties and a
zones summary, in addition to the normal summary and TEMA specification sheet.
HXRIG UID=E01, NAME=CONDEN
TYPE TEMA=AJS, AREA=1367, ORIENTATION=HORIZONTAL
TUBE FEED=100, M=101, PASS=2, MATERIAL=CS, &
LENGTH=16, PATTERN=90, ID=0.62, OD=0.75, &
PITCH=1, NUMBER=448, CONDUCTIVITY=32, FOUL=0.0015
TNOZ ID=6,6
SHELL FEED=1, M=11, SERIES=1, MATERIAL=CMS, &
FOUL=0.001, ID=27.7, METHOD=TMS1
BAFFLE CUT=0.25, SPACING=11.6
SNOZZLE ID=6,4
OPERATION DUTY (BTU/H)=3.5
PRINT EXTEND, ZONES
3: Column condenser simulated with the ATTACH option

Simulate the condenser of column C01 using the attach option, allowing the condenser to
be modeled as a rigorous shell and tube heat exchanger. For this example exchanger
E01, in example 2, is used with all the same geometry and mechanical details. Note the
internal column stream (vapor from tray 2) is being condensed on the shell side. This is
evident on the SHELL statement which has no feed and product information specified.
The ATTACH statement has been added and all the mechanical data for the shell side
remain on the SHELL statement.
COLUMN UID=C01
COND
TYPE=PARTIAL
...
HXRIG UID=E01, NAME=CONDEN
TYPE TEMA=AJS, AREA=1367, ORIENTATION=HORI
TUBE FEED=100, M=101, PASS=2, MATERIAL=CS, &
LENGTH=16, PATT=90, ID=0.62, OD=0.75, &
PITCH=1, NUMB=448, COND=32, FOUL=0.0015
TNOZ ID=6,6
SHELL SERIES=1, MATERIAL=CMS, &
FOUL=0.001, ID=27.7, METHOD=TMS1
ATTACH COLUMN=C01, TYPE=COND
BAFFLE CUT=0.25, SPACING=11.6
SNOZ ID=6,4
OPERATION DUTY (BTU/H)=3.5
PRINT EXTEND, ZONES


13.3 – LNG HEAT
U
EXCHANGER
Keyword Summary
LNGHX UID=uid, {NAME=text},
{ZONES (CALCULATION or OUTPUT)=5}
U U

OPERATION HLEAK(unit)=value

At least one HOT and one COLD cell are required.

or
or
{DUTY(unit)=value or TEMP(unit)=value},
{NUMBER=idno, CELL=text},
COLD FEED=sid, {sid, ... },

or
or

PLOT {QT},{QUA},{TDT},{QDT},{DTUA}, {TQ}, {ALL}


Chapter 13.3 LNG HEAT EXCHANGER 519

or

METHOD SET=setid
General Information
LNG heat exchanger simulates the exchange of heat between any number of hot and
cold streams. The exchanger is divided into cells representing individual cross-flow
elements. HOT cells give up heat, while COLD cells absorb heat. Each cell can mix
multiple feed streams to form a combined feed at the lowest individual feed pressure to
that cell. Streams may be separated into vapor and liquid products at the outlet of the cell.
All but one cell may include a specification of either the outlet temperature or the duty.
However, at least one cell must remain unspecified. The products of all unspecified cells
exit the exchanger at a single temperature that satisfies the overall energy balance.
The default calculational mode performs an overall energy balance and checks for
temperature crossover only at the outlet. It does not consider exchanger configuration and
makes no attempt to check for internal “pinch’ conditions or temperature crossovers.
The optional zone analysis identifies and issues warnings for all internal temperature
crossovers and “pinch” points. It produces a table showing the inlet and outlet
temperatures, duty, weighted LMTD, and weighted UA value for every zone in each cell.
Zone analysis also allows a CONTROLLER to satisfy a minimum internal temperature
approach (MITA), UA, or zoned mean-temperature-difference (MTD) specification on the
exchanger.
Input Description
LNGHX UID=uid, {NAME=text},
{ZONES (CALCULATION or OUTPUT)=5}
U U
The LNGHX statement must be the first statement of each LNG heat exchanger module.
The UID and NAME entries are general to all unit operations, as described in Section
10.2. A description of the ZONES entry appears below.

ZONES When requested, the ZONES option divides each cell of the
exchanger into zones of equal enthalpy change. Five zones
in each cell are used by default, but the user may specify any
number. For example, an LNGHX with five cells and five
requested zones has a minimum of 25 zones total and more,
if any phase changes are detected. Requesting more than ten
zones per cell seldom enhances the accuracy of the results
and requires excessive computational time.
Automatic zone generation ensures that no single zone

accounts for more that 20 percent of the total duty of any cell.
Automatic creation of additional zones always locates all
phase change points on zone boundaries, and warning
messages indicate any temperature crossovers.
The option to perform zone analysis at output time reduces
computational overhead when the exchanger is embedded in
a calculational loop. However, MITA, UA, and zoned MTD
specifications (available via the CONTROLLER) require zone
analysis at calculation time to reach a solution. Otherwise,
zone analysis is optional and not performed unless
requested.
CALC This (default) qualifier executes zone
analysis during solution of the heat
exchanger module. It is required for a
MITA, UA, or zoned MTD specification (via
a CONTROLLER); otherwise, it is optional.
OUTPUT This qualifier requests zone analysis during

output generation only. It is invalid for a
MITA, UA, or zoned MTD specification.

OPERATION HLEAK(unit)=value
The LNG Heat Exchanger model supports a heat leak option. The heat leak is specified as
a fraction or percentage of the total duty of all the hot-side cells. A positive value
represents heat leaked into the hot-side cells from the surroundings. Conversely, a
negative value represents heat leaked out of the hot-side cells to the external
environment. The heat leak is not applied directly to cells that do not have a performance
specification, since the duties of such cells are varied to accomplish the overall exchange
heat balance. The heat leak is intended to be a small but significant contributor to the
overall exchanger duty, and as such should be limited to a small fraction of the total duty.
It is fully integrated into all the zone analysis calculations as well.
The OPERATION statement specifies the desired value of the heat leak parameter. The
keyword HLEAK is required to activate the heat leak option.

unit This qualifier is optional. It is used to declare the basis
upon which numerical value of the heat leak is specified.
Available options are:
FRAC Indicates the heat leak is supplied as a fraction
of total hot-cell duty. This is the default basis
when no qualifier is specified.
PCT Indicates the heat leak is supplied as a per-
centage of total hot-cell duty.
value This is the amount of heat leaked. Depending upon the
absence or presence of the PCT qualifier (see “FRAC”
above), it is expressed either as a fraction or a percentage
of the total duty of all hot cells that have performance spec-
ifications. A positive value indicates heat leaks into the hot
cells; a negative value leaks heat out of the hot cells to the
environment. In all cases, regardless of the basis for input,
the value is constrained to the range -0.5 < Value < +0.5
after it is converted to a fractional basis.

or
COLD V=sid or L=sid ,{W=sid, S=sid},
or
or
Each LNG heat exchanger requires at least one HOT and one COLD statement. An
unlimited number of HOT and COLD statements may be used. Each HOT or COLD
statement must declare at least one feed and one product stream. Optionally, the user
may specify either the duty or the outlet temperature of each cell, but at least one cell
must remain unspecified. All other entries are optional.

HOT One of these two entries must appear as the first entry on a statement defining
or a single cell. A HOT cell loses energy (cools down), while a COLD cell gains
COLD energy (heats up).
FEED This entry is required to declare at least one feed stream to the cell. The
number of allowed feeds is unlimited. Multiple feeds are combined by an
adiabatic flash at the pressure of the feed stream having the lowest pressure.
V, L, or M These entries are required to declare the cell product streams. Usage is the
same as on the PRODUCT statement described in Section 10.2. Valid
combinations are V, or L, or V and L, or M.
W In water-hydrocarbon systems only, the W entry specifies a second liquid-
phase product containing decanted free water. If this entry is missing, the
water is included with the liquid product. Rigorous modeling of two liquid
phases (for product splitting only) is possible by specifying VLLE
thermodynamics on any cell of the exchanger. Refer to Section 10.2 for a
description of how VLLE methods change the significance of the L and W
product entries.
S For systems with solids, the solids may be separated into a stream designated
by S. If S is not given, all solids will leave the separator with the liquid phase
stream.
DUTY DUTY specifies the total duty of the cell in millions of energy units per time
or unit, resulting in the calculation of the cell outlet temperature. TEMP specifies
TEMP the cell outlet temperature, resulting in calculation of the cell duty. One of
these entries may appear on each HOT or COLD statement; however, at least
one cell must remain unspecified, and cannot include either entry. The
products of all unspecified cells exit the exchanger at a common temperature
computed to satisfy the overall energy balance.
NUMBER The NUMBER entry is required to identify any cell referenced by another
module (such as a CALCULATOR or CONTROLLER). Otherwise, it is
optional. Unnumbered cells are assigned the first available value. Two cells
cannot have the same “idno’.
idno A unique number identifying the cell. In an LNG exchanger having N

cells (i.e., HOT + COLD = N), “idno’ may be any integer value between 1
and N.
For example, the following LNGHX has four cells:
LNGHX UID=EX1
HOT CELL=HC1, NUMBER=3, . . .
HOT CELL=HC2, NUMBER=1, . . .
COLD CELL=CC1, . . .
COLD CELL=CC2, . . .
Cell HC1 is assigned cell number 3, and cell HC2 is assigned cell number 1.
By default, cell CC1 becomes cell number 2, and cell CC2 becomes cell

number 4. The value of “idno’ for each cell is unique in the range between 1
and 4 (N = 4 for a 4 cell exchanger). A CONTROLLER could refer to cells HC1
and HC2 as cells 3 and 1, respectively, since they have explicitly assigned cell
numbers. Accessing cells CC1 and CC2 can be confusing since they lack
specifically assigned cell numbers.
CELL The optional CELL entry supplies a name that identifies the cell in output
reports. The name is a text string containing up to 12 alphanumeric
characters. If a name is not supplied, PRO/II will provide a default name
“CELL<cellnumber>”.
DP This specifies an optional pressure drop through the cell. The default is no
pressure drop (DP=0.0).
METHOD When two or more thermodynamic methods are present in the
THERMODYNAMIC section of input, this entry allows selection of the method
applied to this cell. If the METHOD entry is missing, the default set is used.
Each cell may request a different method set.

PLOT {QT},{QUA},{TDT},{QDT},{DTUA}, {TQ}, {ALL}
The statement may be used to generate plots of the composite hot and cold streams for
the properties listed below.
KEYWORD X axis Y axis
QT Duty T
QUA Duty UA
TDT T DT
QDT Duty DT
DTUA DT UA
TQ T Duty
where T, DT, Q, UA represent temperature, temperature difference, total heat duty

and Q/DT, respectively. Multiple entries may be given to generate multiple plots. If
no entries are given after the keyword PLOT, the defaults are to plot QT, QUA, and
TDT.
ALL Presence of this keyword results in plots of all composite hot
and cold streams.

or
Table 13.3-1 lists LNG heat exchanger parameters valid as <param> entries on
DEFINE statements. Properties of individual cells require the cell number as a

qualifier (in parentheses) to the <param> keyword. Refer to Section 10.5 for a
description of the DEFINE statement.
Table 13.3-1
Entries Allowed on DEFINE Statements
Keyword Description
DUTY(i) Duty of cell number “i” in millions of energy units per time
unit
TEMP(i) Outlet temperature of cell “i”
DP(i) Pressure drop of cell “i”

METHOD SET=setid
The METHOD statement allows selection of a single thermodynamic method set when two
or more sets appear in the Thermodynamic Data section of input. The selected set applies
to all cells in the LNG heat exchanger. Use the METHOD entries on the HOT and COLD
statements to specify different method sets for each cell. Refer to Section 10.2 for
information about defining and selecting thermodynamic sets.
Examples
1: Specifying cell duty and outlet temperatures
Use an LNG heat exchanger to cool stream 1 to -50 F, stream 3 to -60 F, and remove 0.1
million Btu of heat from stream 2. Configure the exchanger such that cooling streams C1
and C2 emerge at the same temperature, determined by overall heat balance. A 1 psi
pressure drop applies to each cell.
LNGHX UID= LNG1
HOT FEED= 1, V=V1, L=L1, DP(PSI)=1.0, TEMP(F)= -50
HOT FEED= 2, V=V2, L=L2, DP(PSI)= 1.0, &
DUTY(BTU/H)=0.1
HOT FEED= 3, V=V3, L=L3, DP(PSI)=1.0, TEMP(F)= -60.0
COLD FEED=C1, V= V4, L= L4, DP(PSI)= 1.0
COLD FEED= C2, L= L5, DP(PSI)=1.0
2: Using DEFINE statements to make cell specifications

Using the exchanger of example 13.3-1, set the outlet temperature of stream FA to the
temperature of stream R1, and set the duty of stream FB to 1.1 times greater than the
duty of cell 4 of LNG exchanger REF1.
LNGHX UID= LNG2
HOT FEED= FA, V= V1, L= L1, DP(PSI)= 1.0, CELL= 1

HOT FEED= FB, V= V2, L=L2, DP= 1, CELL= 2
HOT FEED= 3, V= V3, L= L3, DP(PSI)= 1., &
TEMP(F)= -60.0
COLD FEED= C1, V= V4, L= L4, DP(PSI)= 1
COLD FEED= C2, L= L5, DP(PSI)= 1
DEFINE TEMP(1) AS STREAM= R1, TEMP
DEFINE DUTY(2) AS LNGHX= REF1, DUTY(4), &
RATIO= 1.1
3: MITA specification using a CONTROLLER

Use a controller to vary the hot side temperature specification to achieve a ten degree
minimum internal temperature approach. Initially, estimate the product temperature of hot
stream 4 at -140 F. Limit the solution to the range between -155 and -130 F, with a
(second) estimate for the answer of -143F. Assume cooling streams 7, 8, and 9 all exit the
exchanger at the same computed temperature.
This MITA specification requires a zone analysis at calculation time. Using the default of
five zones per cell results in at least 20 total zones (5 zones/cell 4 cells = 20 zones). More
zones result if any phase changes are detected.
LNGHX UID= LNG3, ZONES
HOT FEED= 4, L= 4L, TEMP(F)= -140
COLD FEED= 7, V= 7V
COLD FEED= 8, V= P8V
COLD FEED= 9, V= V9
$
$ CONTROLLER VARIES TEMP OF CELL 1 TO MEET MITA SPEC
$
CONTROL UID= CTL1
SPEC LNGHX= LNG3, MITA, VALUE= 10, ATOL= 1.0
VARY LNGHX= LNG3, TEMP(1), EST2= -143, &
MINI= -155, MAXI= -130

13.4 – AIR COOLED
U
HEAT EXCHANGER
Keyword Summary
Unit Identifier (required)
AIRCOOLHX UID=uid {NAME=text}
SIDE(1 or TUBE) FEED=sid {,sid…}, M=sid {,sid…}, METH =setid
SIDE(2 or AIR) FEED=sid {,sid…}, M=sid {,sid…}, METH=setid
Parameters (required)
INT (index or id) value1, value2,….value33
B B B B B B
PAR(index or id) value1, value2,….value68

B B B B B B
General Information
Air Cooled Heat Exchanger (ACE) is the heat transfer equipment, which uses air as the
cooling fluid. Air cooled heat exchangers are used in many process industries, especially
Petrochemical industries.
Air-cooled heat Exchangers have two sides, one is the tube side, which is the process
side and the other one is shell side, which is the airside. Air is supplied to the unit
operation using fans. These fans can be placed at the bottom or top of the unit operation.
If the fan is situated at the top then it is called induced draft type and if it is at the bottom of
the ACE then it is forced draft type arrangement.
Keyword Description
AIRCOOLHX UID=uid {NAME=text}
SIDE(1 or TUBE) FEED=sid {,sid…}, M=sid {,sid…}, METH =setid
SIDE(2 or AIR) FEED=sid {,sid…}, M=sid {,sid…}, METH=setid
Chapter 13.4 AIR COOLED HEAT EXCHANGER 527

Either the index (1) or id (TUBE) can be used to identify the tube side. Similarly the air
side can be identified with either the index (2) or the id (AIR).
INT(index or id) value1, value2,….value33

B B B B B B

B B B B B B
Following are the INT values and their description.
Table 13.4-1
Integer Parameters
Index ID Description
1 IfDesign 0 – rating mode (default)
1 – design mode.
2 IfHotAir 0 – tube side hot (default)
1 – air side hot
3 IfCoCurrent 0 – countercurrent flow(default)
1 – cocurrent flow
4 iBWG Tube thickness defined by Birmingham Wire
Gauge (BWG) value.
The allowed range is 9 <= iBWG <= 18
5 iTubeSchedule Schedule thickness. Requires a PAR(TubeNPS)
entry.
6 nTubes Number of tubes per bundle (rating only)
7 nTubePass Number of tube passes per bundle
The allowed range is 1 <= nTubePass <= 16
8 nTubePassMin Minimum tube passes per bundle (design only)
9 nTubePassMax Maximum tube passes per bundle (design only)
10 iPattern Tube layout pattern
0 – inline (default)
1 – staggered
11 nTubeRow Number of tube rows per bundle (rating only)
12 nTubeRowMin Minimum number of tube rows per bundle (design
only)

Table 13.4-1
Integer Parameters
13 nTubeRowMax Maximum number of tube rows per bundle (design
only)
14 TubeMaterial Tube material code. See Table 13.4.3 for entries.
Default is 1 (carbon steel).
15 nBunSeries Number of bundles in series (default = 1)
16 NBunParallel Number of bundles in parallel per bay (default = 1)
18 FinMaterial Fin material code. See Table 13.4.3 for entries.
Default is 20 (Aluminium1060 H14).
19 nBayParallel Number of bays in parallel (rating only).
20 MinBayParallel Minimum bays in parallel (default =1, design only).
21 MaxBayParallel Maximum bays in parallel (default =10, design
only).
22 iDraft Draft type:
0 – forced, fan below the tube bundle (default)
1 – induced, fan above the tube bundle
23 nFan Number of fans per bay (rating only). If no value is
entered, PRO/II calculates the number of fans per
bay to satisfy the specified fan diameter.
24 NozType Nozzles present switch:
0 – no nozzles
1 – nozzles are present (default)
25 nNozIn Number of tube inlet nozzles (default = 1)
26 nNozOut Number of tube outlet nozzles (default = 1)

Table 13.4-1
Integer Parameters
27 SpecType Specification type:
0 – Tube side temperature
1 – Air side temperature
2 – Tube side liquid fraction
3 – Overall duty
4 – HOCI (hot outlet – cold inlet approach)
5 – Hot side temperature drop
6 – HICO (hot inlet – cold outlet approach)
7 – Cold side temperature gain
8 – None (rating only)
30 iPrStdTema Standard TEMA datasheet printout flag:
0 – No TEMA datasheet in output report
1 – TEMA datasheet in output report (default)
31 iPrExtTema Extended TEMA datasheet printout flag. Provided
additional exchanger and process stream details:
0 – No extended TEMA datasheet in output report
1 – Extended TEMA datasheet in output report
(default)
32 iPrZone Zones analysis report flag:
0 – Zones printout is suppressed
1 – Zones printout is included in output report
(default)
33 iPrMonitor Provides iterative information to track the design
progress:
0 – No iterative printout (default)
1 – Iterative output included in output report.
In the keyword file, the integer after INT or PAR implies that the input begins from
that parameter number. For example, if the first two INT parameters are blank, the

keyword would be INT(3) 2, 10, 1, 0,………, where 2 is the entry for the third INT
parameter.
Integers without values can be delimited with additional commas. For example:
INT(1) 2, 1 , , , 2, 1, 0, ,1,.………..
Following are the PAR values and their description.
Table 13.4-2
Real Number Parameters
AreaTotal Effective area per bundle. This area covered by the
tube sheets and baffles is subtracted from the outside
1
area of the tubes. Includes the fin area if fins are
present. (rating only)
2 AreaMin Minimum area per bundle (design only)
3 AreaMax Maximum area per bundle (design only)
4 Uestimate Overall U-value estimate per unit of area.
Uscale The Overall U-value scaling factor applied to all heat
transfer coefficients. This scale factor is applied in
5
addition to the individual film coefficient scale factors.
(default = 1.0)
6 TubeLength Tube length (rating only)
7 TubeLenMin Minimum tube length (default = 24 ft, design only)
TubeLenMax Maximum tube length (default = 40 ft, design only)
8
allowed for the design.
TubeLenInc Tube length increments used in design (default = 2
ft).
PRO/II uses the maximum length to initiate the
9 design and reduces the length by the increment
specified if the tube side pressure drop and velocity
specifications cannot be met at the minimum number
of passes
TubeID Inside tube diameter (fine length units). If not
10 specified, this value is automatically computed from
the outside diameter and thickness or BWG entries.
11 TubeOD Outside tube diameter (fine length units).
12 TubeThick Tube wall thickness (fine length units).
TubeNPS Tube Nominal Pipe Size (NPS). Requires a Pipe
13
Schedule entry INT(iTubeSchedule).

Table 13.4-2
TransPitch The tube transverse pitch, which is the center-to-
center distance between the tubes in the direction
14 normal to air flow. By default this value is set to 1.25
times the tube diameter for bare tubes or 1.25 times
the fin OD for finned tubes (fine length units).
LongPitch This entry specifies the Tube longitudinal pitch, which
is the center-to-center distance between tubes in
direction parallel to air flow. By default this value is
15
set to 1.25 times the tube diameter for bare tubes or
1.25 times the fin OD for finned tubes (fine length
units).
TubeTCond Tube material thermal conductivity. Defaults to the
16
thermal conductivity of the tube material.
17 TubeFoul Tube fouling factor. (Default = 0.002 hr-ft2-F/BTU).
P P
18 TubeLayer Tube fouling layer thickness. (Default = 0.0)

19 TubefilmCoef Tube film coefficient. Overrides the calculated value.
TubefilmScale Scaling factor applied to calculated tube film
20
coefficient.
dPBundle Pressure drop per bundle. Overrides calculated
21
value. (rating only).
nFins Number of fins per unit length. Required if fins are
22
enabled.
dPUnit Pressure drop per service. Overrides calculated
24
value. (rating only).
dPUnitMin Minimum tube pressure drop per bundle (design only)
25 PRO/II calculates the average between the minimum

and maximum values to use as the target pressure
drop in obtaining a suitable tube bundle.
dPUnitMax Maximum tube pressure drop per bundle (design
26
only)
27 TubeVeloMin Minimum tubeside velocity (design only).
28 TubeVeloMax Maximum tubeside velocity (design only).
29 dPTubeScale Tube pressure drop scaling factor (default = 1.0).
30 FinThick Fin thickness (default = 0.016928 in)

Table 13.4-2
FinHeight Fin height above the root.
31 Alternatively, PRO/II calculates the height if you

specify both the root outside diameter and tube
outside diameter.
UFinArea Fin area per unit of length of the tube. If supplied,
32
overrides calculated area based on fin geometry.
FinEff Fin heat transfer efficiency. The value should be
33
between 0 and 100 percent (default = 100)
FinTCond Fin material thermal conductivity. This defaults to the
specified material conductivity which, if not specified
34
is code 20 (Aluminium1060 H14) which has thermal
conductivity of 128.3 Btu/hr-ft-F
FinBondResist Fin bond resistance between the exchanger fins and
35
the tube outer diameter.
BundleWidth For rating, the tube bundle width. If no value is
entered, the bundle width is calculated using the
following formula:
36
Width = (Tubes/Row) * (Transverse Pitch)
For design, this entry represents the bay width as
only one bundle is designed in each bay.
BundleWidthMi Minimum bundle width (design only).
37
n
BundleWidthM Maximum bundle width (design only).
38
ax
39 BundleLength Bundle length (rating only).
40 AFoulResist Airside fouling resistance.
41 AFoulLayer Airside fouling layer thickness.
42 AFilmCoef Airside film coefficient.
43 AFilmScale Airside film coefficient scaling factor (default = 1)
44 AdPBun Airside pressure drop per bundle (rating only)
AdPBunMin Minimum airside pressure drop per bundle (design
45
only)
AdPBunMax Maximum airside pressure drop per bundle (design
46
only).

Table 13.4-2
47 AdPBunScale Airside pressure drop scaling factor (default = 1)
48 AveloMin Minimum airside face velocity (design only).
49 AveloMax Minimum airside face velocity (design only).
50 FanDiam Fan diameter (rating only).
FanEff The combined fan and motor efficiency (default =
51
100%).
52 FanPower This entry specifies the fan power.
53 NozInID Tubeside nozzle inlet inside diameter.
54 NozOutID Tubeside nozzle outlet inside diameter.
55 TTempSpec Tubeside outlet temperature specification.
56 ATempSpec Airside outlet temperature specification
58 DutySpec Overall duty specification.
HOCISpec Hot outlet – cold inlet temperature approach
59
specification.
60 COCISpec Cold side temperature gain specification.
61 HIHOSpec Hot side temperature drop specification.
HICOSpec Hot inlet – cold outlet temperature approach
62
specification.
68 TLFracSpec This entry specifies the tube side Liquid Fraction.

Table 13.4-3
3 3
Entry Description Label lb/ft
P P kg/m P P Btu/ kcal/ W/m-
hr-ft- hr-m-C K
F
1 Carbon Steel CARB STL 490.8 7862 30.0 44.6 51.9
2 Carbon-moly Steel CARB MLY 493.2 7900 29.0 43.2 50.2
0.1C, 0.5 MO
3 Chrome-moly Steel CHRM MLY 490.1 7851 27.0 40.2 46.7
1.0 CR, 0.5 MO
4 Low Chrome Steel LOW 487.0 7801 25.0 37.2 43.3
2.25 CR, 1.0 MO CHRM
5 Med. Chrome MED 480.7 7700 21.0 31.3 36.3
Steel CHRM
5.0 CR, 0.5 MO
6 Straight Chrome STR CHRM 487.0 7801 14.0 20.8 24.2
Steel 12 CR
7 304 Stainless Steel 304 S.S. 501.1 8027 9.3 13.8 16.1
18 Cr, 8 Ni
25 Cr, 20 Ni
17 Cr, 12 Ni
18 Cr, 10 Ni
20 Aluminum 1060 A1060H14 170.0 2723 128.3 190.9 222.1
H14
21 Aluminum 1100 A1100 AN 169.3 2712 128.3 190.9 222.1
Annealed
22 Aluminum 3003 A3003H14 171.1 2741 111.0 165.2 192.1
H14 Annealed
23 Aluminum 3003 A3003H25 171.1 2741 111.0 165.2 193.1
H25 Annealed
24 Aluminum 6061 A6061 T4 169.3 2712 95.0 141.4 164.4
T4 Tempered
25 Aluminum 6061 A6061 T6 169.3 2712 95.0 141.4 164.4
T6 Tempered
30 Copper COPPER 556.4 8913 225.0 334.8 389.4
31 Arsenical Copper AS 560.0 8970 187.0 278.3 323.6
COPPER
32 Copper Nickel CUNI9010 559.0 8954 26.0 38.7 45.0
90/10
80/20
70/30
60/40

Table 13.4-3
40 Red Brass 85 Cr RED BRAS 546.0 8746 92.0 136.9 159.2
15 Zn
41 Admiralty 71 Cu ADMRALTY 531.0 8506 64.0 95.2 110.8
28 Zn 1 Sn
42 Commercial Brass COM BRAS 529.0 8474 67.0 99.7 116.0
55 Cu- 34 Zn
43 Muntz Metal 60 Cu MUNTZ 524.0 8394 71.0 105.7 122.9
40 Zn
44 Aluminum Bronze AL BRONZ 510.0 8169 48.0 71.4 83.1
93 Cu 5 Al
45 Aluminum Brass AL BRASS 520.0 8330 58.0 86.3 100.4
78 Cu 2 Al
50 Nickel Annealed NICKEL 556.4 8913 45.2 67.3 78.2
51 Low Carbon Nickel L CRB NI 554.7 8885 35.0 52.1 60.6
Annealed
52 Monel Nickel MONEL NI 551.2 8829 14.5 21.6 25.1
70 Ni 30 Cu
53 Inconel 600 76 Ni INCNL600 525.3 8414 8.7 12.9 15.1
16 Cr 8 Fe
60 Titanium Grade 2 TITANIUM 281.6 4511 9.5 14.1 16.4
61 User defined

1: Air-cooled Exchanger Example
Simulate rate an air cooled exchanger with the following characteristics:
Attribute Value Units of Measure

Tube thickness 16 BWG
Number of tubes 628
Tube passes per bundle 3
Tube rows per bundle 4
Tube material Carbon steel (type 1)
Bundles in series 1
Bundles in parallel 1
Bays in parallel 1
Draft type Inducted
Number of fans 1
Number of inlet nozzles 1
Number of outlet nozzles 1
Specification type Duty
Tube length 9.1 meters
Tube outside diameter 25.4 millimeters
Tube transverse pitch 32 millimeters
Tube thermal conductivity 51.9222 Watts/meter-K
Tubeside fouling resistance 0.00035 meters2 – K/kWatts
P P
Airside fouling resistance 0.0002 meters2 – K/kWatts

P P
Fan diameter 3.2 meters

Fan efficiency 70 percent
Nozzle inlet diameter 154 millimeters
Nozzle outlet diameter 154 millimeters
Specified duty 4.4 106 kJ/hour
P P
Keyword input for this exchanger:
AIRCOOLHX UID=SU525
SIDE(TUBE) FEED=3003, M=8003
SIDE(AIR) FEED=3004, M=8004
INT(iBWG) 16
INT(nTubes) 628
INT(nTubePass) 3
INT(nTubeRow) 4
INT(TubeMaterial) 1

INT(nBunSeries) 1
INT(nBunParallel) 1
INT(nBayParallel) 1
INT(iDraft) 1
INT(nFan) 1
INT(NozType) 1
INT(nNozIn) 1
INT(nNozOut) 1
INT(SpecType) 3
PAR(TubeLength) 9.1
PAR(TubeOD) 25.4
PAR(TransPitch) 32
PAR(LongPitch) 32
PAR(TubeTCond) 51.9222
PAR(TubeFoul) 0.00035
PAR(BundleLength) 9.1
PAR(AFoulResist) 0.0002
PAR(FanDiam) 3.2
PAR(FanEff) 70
PAR(NozInID) 154
PAR(NozOutID) 154
PAR(DutySpec) 4.4

13.5 – FURNACE
U
Keyword Summary
FURNACE UID=uid, {NAME=text}

SIDE(1 or PROC) FEED=sid, {sid,...}, M=sid, METH=setid
SIDE(2 or COMB) FEED=sid, {sid,...}, M=sid, METH=setid
INT(3 or CORNUM) value3 B B

B B B B B B
General Information
The Furnace unit operation (sometimes refered to as the Fired Heater unit operation)
raises the temperature of fluid on one side by burning fuel on the other side. The furnace
model acts as a combustion reactor and heat exchanger.
Similar to a heat exchanger, it consists of two “sides”. Only heat transfer occurs across the
sides, not mass transfer. On the tube side (referred to here as the Process Side), the
process fluid to be heated is sent in and comes out from the exit of tube side. There will
be one or more hydrocarbon (fuel) and air/oxygen streams feeding the Combustion Side
of the furnace. These streams will be burned to produce a single product stream on the
combustion side. The following assumptions are made:
1. The hydrocarbons and carbon monoxide are completely converted to carbon
dioxide and water.
2. Any of the hydrogen sulfide present is converted to sulfur dioxide and water.
3. There is no re-circulation of flue gases in the burner chamber.
You can select different Thermodynamic systems for each of the two sides of the furnace.
The components CO2, H20, O2, SO2, N2 must appear on the component list
while simulating a furnace.
Chapter 13.5 FURNACE 539

Keyword Description
FURNACE UID=uid, {NAME=text}

SIDE(1 or PROC) FEED=sid, {sid,...}, M=sid, METH=setid
SIDE(2 or COMB) FEED=sid, {sid,...}, M=sid, METH=setid
INT(3 or CORNUM) value3 B B

B B B B B B
In the keyword file, the integer after INT or PAR implies that the input begins from
that parameter number. For example, if the first two INT parameters are blank (which they
always will be for the Furnace), the keyword would be INT (3) 1 where 1 is the entry for
the third INT parameter.
If a parameter does not have any value, a space is shown. For example:
PAR(1) 2, 1 , , , 2, 1, 0, ,1,.………..
INT Values
There is one INT entry for the furnace unit operation. Either an index number or id string
may be used to identify the starting position.
Table 13.5-1
Integer Parameters
3 CORNUM Tubeside pressure drop
0 = Tube outlet pressure or pressure drop specified
directly
1 = Pressure drop correlation used

PAR Values
The Table 13.5-2 together with the selection rules lists the allowable combinations of
specifications for the Furnace unit operation.
Table 13.5-2
Specification Selection Table
Column 1 Column 2 Column 3
Gas to tube heat transfer Gas to wall heat transfer
coefficient coefficient
Tube to process heat Wall to atmosphere heat
transfer coefficient transfer coefficient
Average tubeskin Wall temperature
temperature
Process outlet Wall heat loss or % firing Bridgewall Temperature
temperature or process duty lost through the wall
duty
Specification Selection Rules

1. Specify values for exactly four of the attributes in Table 13.5-2.
2. Select a maximum of two specifications from Column 1.
3. Select a maximum of two specifications from Column 2.
4. Select a maximum of two specifications from last row.
Other conditions are:
5. Either pressure drop or pressure or correlation term is allowed. This selection is
optional.
6. Tubeskin temperature value or tubeskin temperature estimate value is allowed.
7. Percent firing duty lost through the wall value or percent firing duty lost through
the wall estimate value is allowed.
8. BridgeWall temperature value or Bridgewall temperature estimate value is
allowed.
9. Maximum average tubeskin temperature or maximum delta temperature is
allowed.
10. Ambient temperature is optional.

Following are the PAR values and their description.
Table 13.5-3
1 TTEMP Average tube skin temperature. Should be greater
than the process inlet temperature.
2 TOUT Process outlet temperature. Should be greater the
than process inlet temperature. Not permited with
PAR(DUTY) statement.
3 TWALL Furnace wall temperature. Should be greater than
the the ambient temperature.
4 PWQLO Percentage firing duty lost through wall.
5 BTEMP Bridgewall temperature (the temperature of the flue
gases leaving the furnace). Should be greater than
the tube skin temperature and the furnace wall
temperature.
6 TMAXimum Maximum average tubeskin temperature. Should be
greater than the tubeskin temperature.
7 DTMAXimum Maximum average delta temperature.
8 TAMBient The ambient temperature. The default is 76.73 F or
24.85 C ( = 298 K).
9 PRES Process side outlet temperature.
10 DP Process side pressure drop. Default is 0.0.
12 BTEStimate Estimated bridgewall temperature.
13 QLEStimate Estimated percent duty lost through wall.
14 TTEStimate Estimated average tubeskin temperature.
15 TESTimate Estimated process outlet temperature.
20 UAGT Gase to tube heat transfer coefficient.
21 UATU Tube to Process heat transfer coefficient.
22 UAGW This entry specifies the gas to wall heat transfer
coefficient
Gas to wall heat transfer coefficient should not be
less than or equal to zero.
23 UAWA Wall to atmosphere heat transfer coefficient.

Table 13.5-3
Integer Parameters
Indices 24-28 refer to the following tubeside pressure drop correlation:
C
∆P ⎛ Flow ⎞
= A+ B⎜ ⎟
∆Pref ⎜ Flow ⎟
⎝ ref ⎠
24 RFDP Reference pressure drop

25 RFDFlow Reference flow rate
26 C1 Constant “A”
27 C2 Constant “B”
28 C3 Constant “C”
31 DUTY Process fluid heat gain.

32 WQLOSS Wall heat loss.

1: Furnace Example
Rate a furnace with the following characteristics:
Attribute Value Units of Measure

Average tube skin temp 697 K
Process outlet temperature 632 K
Furnace wall temperature 1028 K
Percent firing duty lost through furnace 2.84 Percent
wall
Maximum average tube-skin temp. 821 K
Ambient temperature 298 K
Process side outlet pressure 508.5 kPa
Estimated bridgewall temperature 1400 K
Keyword input for this furnace:
FURNACE UID=F-01
SIDE(PROCESS) FEED=PF1, M=PP1
SIDE(COMBUSTION) FEED=CF1,CF2, M=CP1
INT(CORNUM) 0
PAR(TTEM) 697.
PAR(TOUT) 632.
PAR(TWAL) 1028.
PAR(PWQLO) 2.84
PAR(TMAX) 821.
PAR(TAMB) 298
PAR(PRES) 508.5
PAR(BTES) 1400

14.1 – EQUILIBRIUM
U
REACTOR
Keyword Summary

EQUREACTOR UID=uid, {NAME=text}

PRODUCT V=sid or L=sid ,{W=sid, S=sid},
or
or

OPERATION ISOTHERMAL,
U U
DTFEED(unit)=0.0 or TEMPERATURE(unit)=value
or
ADIABATIC, DUTY(unit)=0.0,
TMAX(K)=3000, TMIN(K)=1.0,
PHASE=L or V,
DP(unit)=0.0 or PRESSURE(unit)=value,
RXCALC {MODEL=STOIC or SHIFT or METHANATION},
{NOHBALANCE}

PRINT PATH
Specifying Reaction Set (required, for STOIC model only)

RXSTOIC RXSET=setid (for MODEL=STOIC only)

Chapter 14.1 EQUILIBRIUM REACTOR 545

Specifying Reactions (optional)
REACTION rxid or SHIFT or METHANATION,
BASE COMPONENT=i, (for MODEL=STOIC only)
unit, volume unit,
press unit)
APPROACH DT(unit)=value or FRACTION(temp unit)= C0, C1, C2 B B B B B B
Each set of BASE, EQUILIBRIUM, and APPROACH statements must appear immediately
following the corresponding REACTION statement.

or
Valid <param> entries are PRES, DP, TEMPERATURE, DUTY.

METHOD SET=setid
General Information
The equilibrium reactor unit operation simulates a reactor by solving the heat and material
balances for one or more simultaneous reactions based on stoichiometry, equilibrium and
approach to equilibrium data, and heat of reaction data. Results include reactant
conversions, product rates, and thermal conditions.
For most applications, the equilibrium reactor will operate in the general mode using user-
supplied reaction stoichiometry. A special form of the reactor module allows simulation of
methanation or shift reactor using built-in stoichiometry and heat of reaction data for
vapor-phase shift and methanation reactions. For the methanator model, simultaneous
reaction equilibria of methanation and shift reactions are solved.
Shift reaction: Methanation reaction:

←
CO + H 2 O→← CO2 + H 2 CO + 3H 2 → CH 4 + H 2 O 14.1-1
The model allows one shift and one methanation reaction. Methane, carbon monoxide,
carbon dioxide, water, and hydrogen must all be present in the component list.
Options allow the reactor to operate isothermally at a specified temperature, at the feed
temperature, or adiabatically. Adiabatic operation allows specifying a fixed amount of heat
added or removed, and temperature limits may be imposed. Isothermal reactors compute
the duty required to satisfy an outlet temperature specification.
Input Description
EQUREACTOR UID=uid, {NAME=text}
The EQUREACTOR statement is required as the first statement of each equilibrium
reactor module. All entries are general to all unit operations and are described in Section
10.2.

or
or
One FEED and one PRODUCT statement is required by each EQUREACTOR module. All
entries on both statements are general to all unit operations. Refer to Section 10.2 for
descriptions of their usage.
VLLE Calculations

U U
or
TMAX(K)=3000, TMIN(K)=1.0,
PHASE=L or V,

All entries on the OPERATION statement are optional. If omitted, the reactor executes in
ISOTHERMAL mode at the temperature of the combined feed.
ISOTHERMAL These optional entries specify the thermal calculation mode.

or ISOTHERMAL calculates the required reactor duty by heat
ADIABATIC balance based on a fixed outlet temperature, which may be
defined with either the TEMP or DTFEED entry. ADIABATIC
calculates the outlet temperature that satisfies a fixed total
outlet enthalpy. A fixed duty may be defined using the DUTY
entry. The default mode is ISOTHERMAL.
PHASE This optional entry specifies the phase of the reaction.
Reaction equilibrium constants are valid only in this phase.
Available options are L for liquid (the default) or V for vapor
phase. Mixed phase reaction equilibrium constants are not
supported.
PRESSURE The PRESSURE entry specifies the pressure of the reactor
or products, while DP is the pressure drop below the pressure
DP of the combined feed. The default is DP=0.0.
TEMP In ISOTHERMAL mode only, TEMP defines a fixed
or temperature for the reactor products, while DTFEED
DTFEED specifies a temperature increase over the temperature of the
combined feed. When none of TEMP, DTFEED, or
ADIABATIC are given, the reactor operates in
ISOTHERMAL mode at DTFEED=0.0.
DUTY Available for an ADIABATIC reactor only, DUTY defines the
amount of heat transferred to the reactor from an external
source. Values must be entered in millions of energy units
per time unit. Positive values indicate heat input to the
reactor. By default, DUTY = 0.0.
TMAX, Optional maximum and minimum operating temperature
TMIN limits, used only with an ADIABATIC reactor. A warning is
printed if these limits are violated. By default, TMIN=1.0 K
and TMAX =3000.0 K (or equivalent).
{NOHBALANCE}
The RXCALC statement allows selection of the reactor model, and heat balance option.
All entries are optional.
MODEL This entry allows selection of special methanator and shift reactor
models. The STOIC option, which is the default, is used to identify
a general reactor with user defined stoichiometry from the reaction

data section. Specifying MODEL=SHIFT allows modeling of the
shift reaction from built-in data. Specifying
MODEL=METHANATION allows modeling of the methanation and
methane reforming reactions from built-in data. Note that the shift
reaction is always included as a subset of the METHANATION
model, but the methanation reaction is not included as a part of the
SHIFT model.
NOHBALANCE Allowed only with ISOTHERMAL reactors, presence of this
keyword prevents calculation of a heat balance so no duty is
computed. The user must define the outlet temperature using the
TEMP entry on the OPERATION statement or on a DEFINE
statement. The PATH option on the PRINT statement is ignored
when NOHBALANCE is used. By default, a heat balance is
performed.

PRINT PATH
The PRINT statement controls printout options. It is optional.
PATH Presence of this keyword prints a trace of the reaction path

used in calculating the heat of reaction. See the PRO/II
Reference Manual for further discussion.

Specification of the reaction set is required for the stoichiometric model. It is not allowed
for the shift or methanation reactors since built-in reaction sets are used for these models.
The reaction set from the reaction data section to be used in the reactor is specified on the
RXSTOIC statement using the RXSET keyword. All the reactions belonging to that set and
the equilibrium coefficients data entered for these reactions will then be available to the
reactor. The reactor can use only one reaction set. The RXSTOIC statement is applicable
only for the stoichiometric reactor, for which it is required.
The RXSTOIC statement is used to identify the reaction set to be used in the reactor. The
reaction set specified using the RXSET keyword must be defined in the reaction data
section. When multiple reactions are given, the reaction order taken and reported by the
reactor unit is the same as that defined in the selected reaction set. All reactions in the
reaction set are included in the reaction calculations.

A reaction is specified using a set of statements appearing in the order shown in Table
14.1-1. For the stoichiometric model, the REACTION statement is followed immediately by
BASE and optional EQUILIBRIUM and APPROACH statements. For the shift and
methanation models, the BASE statement is not allowed, since CO is the fixed base
component for both shift and methanation reactions. Optional EQUILIBRIUM and

APPROACH statements may, however, be input for one or both of the two reactions to
specify equilibrium related data.
Table 14.1-1
Allowed Reaction Specification Sets
Reactor Model Statement Status
STOIC RXSTOIC required
REACTION optional
BASE optional
EQUILIBRIUM optional
APPROACH optional
METHANATION REACTION optional
APPROACH optional
SHIFT REACTION optional
APPROACH optional
REACTION rxid or SHIFT or METHANATION

A REACTION statement is the first statement in a set of statements specifying a single
reaction. It supplies the ID of the reaction defined in the reaction data section, or indicates
if it is a SHIFT or METHANATION reaction. For the reaction defined in the reaction data
section, the stoichiometry, heat of reaction data, and equilibrium coefficients data input in
the reaction data section will be available to the reactor. For the methanation model, both
SHIFT and METHANATION reactions can be specified using two REACTION statements,
but for the shift model only the SHIFT reaction can be specified.
BASE COMPONENT=cno (for MODEL=STOIC only)
The BASE statement is optional and can only be specified for the stoichiometric model.
COMPONENT This entry specifies the base component used in the reaction
conversion report. The component must be involved in the
reaction as a reactant (not a product), and be present in the
reactor feed stream. It is defaulted to the base component of
heat of reaction data determined in the reaction data section.
EQUILIBRIUM(unit) A=value, B=value, C=value, D=value,
E=value, F=value, G=value, H=value
This statement is required for the stoichiometric model if it has not been specified for the
reaction in the reaction data section. Coefficients A, B, C, D, E, F, G, and H define the
equilibrium constant as a function of temperature:
ln (K eq ) = A + B / T + C * ln (T ) + D * T + E * T 2
+ F *T 3 + G *T 4 + H *T 5 14.1-2

where by default T is temperature in absolute degrees, i.e., R for problem units of R or F,
and K for problem units of K or C. At least one of the entries A through H is required. Note
that input parameters B through H are dimensionally dependent upon the temperature
unit.
The equilibrium constant Keq applies to the general equation:
B B
14.1-3
C Pp CQqn...
K eq = 14.1-4
C Aa C Bb ...
where:
Ci = activity concentration of component i
B B
a,b,p,q, ... = equilibrium exponents which usually equal to the absoulte

values of stoichiometric coefficients
Keq is dimensionless for liquid phase reaction, but has dimensions of
B B
n
(pressure unit) , where n=(p+q+ ...) - (a+b+...), in a vapor phase reaction.
P P
For the specialized shift and methanation models,

14.1-5
A separate EQUILIBRIUM statement may be entered for each reaction. Keq has units of
(pressure units)-2 in the methanation reaction, but is dimensionless in the shift reaction. If
the EQUILIBRIUM statement is not input for the shift or methanation reaction, default
values of A and B used come from the National Bureau of Standards.
See the PRO/II Reference Manual for more information.
Specifying Approach to Equilibrium (optional)

APPROACH DT(unit)=value or FRACTION(temp unit)= C0, C1, C2
B B B B B B
The APPROACH statement may specify an approach to equilibrium, either as an

approach to equilibrium temperature or a fractional approach to chemical equilibrium.
When no approach data are given, all reactions proceed to equilibrium by default, and
C0=1.0, C1=0.0, and C2=0.0. When partial data are provided, missing values default to
B B B B B B
zero. See the PRO/II Reference Manual for more information.
DT A temperature approach may be given as an alternative to a

FRACTION approach. In this case, Keq is computed at

temperature T, where:
T = Treaction – ∆T (endothermic reactions)

T = Treaction + ∆T(exothermic reactions)
The base component declared with the

COMPONENT entry on the BASE statement must be a
reactant to be consistent with this sign convention.
For the shift and methanation reactions, Keq is computed at

temperature T, where:
T = Treaction + ∆T
FRACTION Input values C0, C1, and C2 may appear in any combination. B B B B B B
When a fixed approach is required, C1and C2 may be B B B B
omitted or set to zero. The conversion of base component

“B” is defined by:
CB = (BR - BF) = APP * (BE - BF)
B B B B B B B B B B
where the fractional approach to equilibrium is:
APP = C0 + C1 * T + C2 * T2 B B B B B B P
P CB = Conversion of base component

B B
BR = Moles of component B in the product

B B
BF = Moles of component B in the feed

B B
BE = Moles of component B at equilibrium

B B
Approach APP should range between 0.0 and 1.0.
For the shift or methanation reaction, the conversion of

carbon monoxide is:
CCO = (COR - COF) = APP * (COE - COF)
B B B B B B B B B B
CCO = Moles of carbon monoxide

B B
converted in reaction
COR = Moles of carbon monoxide in
B B
product
COF = Moles of carbon monoxide in feed
B B
COE= Moles of carbon monoxide at

B B
equilibrium


or
Valid <param> entries are PRESSURE, DP, TEMPERATURE, DUTY. Multiple DEFINE
statements are allowed. Refer to Section 10.5 for a description of the DEFINE feature.

METHOD SET=setid
The METHOD statement allows selection of the desired thermodynamic method set when
two or more sets appear in the Thermodynamic Data section of input. Refer to Section
10.2 for information about defining and selecting thermodynamic sets.
Examples
1: Water Gas Reaction (Equilibrium Calculations)
Model the water gas reaction shown above at 1530 K and a total pressure of 1
atmosphere. Under these conditions, the Keq is essentially unity (0.9999). The reactor
calculates heat of reaction from the enthalpy balance. The feeds to the reactor are as
follows:
Comp. Component MOLES/HR

No.
Stream 1 Stream 3
1 H2O 0 235
2 CO 127 0
3 CO2 0 0
4 H2 0 0
The pressure for the reactor is assumed to be the lowest individual feed pressure.
The reactor outlet temperature is specified at 1530 degrees. The base component for the
reaction is CO. Since an APPROACH is not supplied, the reaction proceeds to equilibrium
quantities of products and reactants. The equilibrium constant is calculated from the
relationship:
Ln(Keq) = -0.0001
B B
RXDATA
RXSET ID=1
REACTION ID=1

EQUILIBRIUM A=-0.0001, B=0.0
$
UNIT OPERATION
EQUREACTOR UID=RX1
FEED 1,3
PRODUCT V=4
OPERATION PHASE=V, TEMPERATURE=1530, ISOTHERMAL
RXCALC MODEL=STOIC
RXSTOIC RXSET=1
REACTION 1
BASE COMPONENT=2
2: Shift Reactor
Model the shift reaction of a synthesis gas in stream F1 at 600 F and 90 psia. Use a
temperature approach of 50 F.
EQUREACTOR UID=S1, NAME=SHIFT ONLY
FEED F1
PROD V=V1
OPERATION PRESSURE(PSIA)=90, TEMPERATURE(F)=600
RXCALC MODEL=SHIFT
REACTION SHIFT
APPROACH DT=50
3: Methanator (Approach To Equilibrium Calculations)

Adiabatically methanate the following synthesis gas at the feed pressure. Use an
approach to equilibrium of 80 percent for the shift reaction and 90 percent for the
methanation reaction.
An RXCALC statement is required to access the methanator model. The
STOICHIOMETRY METHANATION and STOICHIOMETRY SHIFT statements allow
separate APPROACH statements for the two reactions.
STREAM 1
COMPONENT Moles/hr
H2O 50
CO 4150
H2 12600
CO2 80
CH4 1420
N2 880

EQUREACTOR UID=M1, NAME=FIRST STAGE
FEED 1
PRODUCT V=V1
RXCALC MODEL=METHANATION
OPERATION ADIABATIC
REACTION METHANATION
APPROACH FRACTION=0.90
REACTION SHIFT
APPROACH FRACTION=0.80


14.2 – CONVERSION
U
REACTOR
Keyword Summary
CONREACTOR UID=uid, {NAME=text}

or
or

U U
or
TMAX(K)=3000, TMIN(K)=1.0,
RXCALC {MODEL=STOIC or SHIFT or METHANATION}, U U
{CBASIS=FEED or REACTION}, {NOHBALANCE}

U U
XOPTION=STOP

PRINT PATH


REACTION rxid or SHIFT or METHANATION,
BASE COMPONENT=i, (for MODEL=STOIC only)
CONVERSION(unit) C0, C1, C2 B B B B B B
Chapter 14.2 CONVERSION REACTOR 557

Each set of BASE, and CONVERSION statements must appear immediately following the
corresponding REACTION statement.

or
Valid <param> entries are PRES, DP, TEMPERATURE, DUTY, CONVERSION(i) AND
STOICHIOMETRY (cno).

METHOD SET=setid
General Information
The conversion reactor unit operation simulates a reactor by solving the heat and material
balances for one or more simultaneous reactions based on supplied stoichiometry,
fractional conversions and heat of reaction data. Results include reactant conversions,
product rates, and thermal conditions.
For most applications, the conversion reactor will operate in the general mode using user-
supplied reaction stoichiometry. A special form of the reactor module allows simulation of
methanation or shift reactor using built-in stoichiometry and heat of reaction data for
vapor-phase shift and methanation reactions.
←
CO + H 2 O→← CO2 + H 2 CO + 3H 2 → CH 4 + H 2 O
The model allows one shift and one methanation reaction. Methane, carbon monoxide,
carbon dioxide, water, and hydrogen must all be present in the component list.
The fractional conversion of the base component in each reaction may be defined as a
function of temperature. Options allow the reactor to operate isothermally at a specified
temperature, at the feed temperature, or adiabatically. Adiabatic operation allows
specifying a fixed amount of heat added or removed, and temperature limits may be
imposed. Isothermal reactors compute the duty required to satisfy an outlet temperature
specification.
Input Description
The CONREACTOR statement is required as the first statement of each conversion
reactor module. All entries are general to all unit operations and are described in Section
10.2.
or

or
One FEED and one PRODUCT statement is required by each CONREACTOR module. All
entries on both statements are general to all unit operations. Refer to Section 10.2 for
VLLE Calculations

U U
or
TMAX(K)=3000, TMIN(K)=1.0,
DP(unit)=0.0 or PRESSURE(unit)=value
ISOTHERMAL mode at the temperature of the combined feed.
ISOTHERMAL These optional entries specify the thermal calculation mode.
or ISOTHERMAL calculates the required reactor duty by heat
ADIABATIC balance based on a fixed outlet temperature, which may be
defined with either the TEMP or DTFEED entry. ADIABATIC
calculates the outlet temperature that satisfies a fixed total
outlet enthalpy. A fixed duty may be defined using the DUTY
entry. The default mode is ISOTHERMAL.
or products, while DP is the pressure drop below the pressure
DP of the combined feed. The default is DP=0.0.
TEMP In ISOTHERMAL mode only, TEMP defines a fixed
or temperature for the reactor products, while DTFEED
DTFEED specifies a temperature increase over the temperature of the
combined feed. When none of TEMP, DTFEED, or
ADIABATIC are given, the reactor operates in ISOTHERMAL
mode at DTFEED=0.0.
amount of heat transferred to the reactor from an external
source. Values must be entered in millions of energy units
per time unit. Positive values indicate heat input to the
reactor. By default, DUTY = 0.0.

TMAX, Optional maximum and minimum operating temperature
TMIN limits, used only with an ADIABATIC reactor. A warning is
printed if these limits are violated. By default, TMIN=1.0 K
and TMAX = 3000.0 K (or equivalent).

U U
{CBASIS=FEED or REACTION}, {NOHBALANCE}

U U
XOPTION=STOP
The RXCALC statement allows selection of the reactor model, basis for input conversion
data, and error handling option. All entries are optional.
MODEL This entry allows selection of special methanator and shift

reactor models. The STOIC option, which is the default, is
used to identify a general reactor with user defined
stoichiometry from the reaction data section. Specifying
MODEL=SHIFT allows modeling of the methantion reaction
from built-in data. Specifying MODEL=METHANATION
allows modeling of the methanation and methane reforming
reactions from built-in data.
Note that the shift reaction is always included as a subset of

the METHANATION model, but the methanation reaction is
not included as a part of the SHIFT model.
CBASIS This entry allows specification of the basis for input

conversion data. The default conversion basis for single,
parallel and series-parallel reactions is FEED (feed-based
conversion).
The default conversion basis for series reactions is

REACTION (reaction-based conversion). If specified
explicitly, the method (FEED or REACTION) chosen for
CBASIS will be used. When REACTION is used in systems
containing parallel reactions, the results will be different
depending on the order the reactions are specified in the
input, e.g.,
A+B→C
B+C→D
If fractional conversions are specified for both reactions
based on conversion of B, then the amount of product D is
dependent upton the input order of the two reactions.

The CBASIS entry is not applicable for the special
METHANATION model, since the conversion basis is fixed
at feed-based for the shift and methanation parallel
reactions in that model.
NOHBALANCE Allowed only with ISOTHERMAL reactors, presence of this
keyword prevents calculation of a heat balance so no duty is
computed. The user must define the outlet temperature
using the TEMP entry on the OPERATION statement or on
a DEFINE statement. The PATH option on the PRINT
statement is ignored when NOHBALANCE is used. By
default, a heat balance is performed.
XOPTION This option specifies the error-handling action taken if any
negative component rates are encountered. The default is
“STOP”. Options are listed in Table 14.2-1.
Table 14.2-1
Error Condition Handling Options
XOPTION= Description of Corrective Action
STOP(default) Stop all calculations. Set solution flag to “unit not
solved”.
NORX
No reaction occurs. Set solution flag to “unit solved”.
Add makeup for the limiting reactants as necessary to

MAKEUP satisfy the conversion constraints. Set solution flag to
“unit solved”.
Reduce conversion until components balance. Set

REDUCE solution flag to “unit solved”.

PRINT PATH
PATH Presence of this keyword prints a trace of the reaction path

used in calculating the heat of reaction. See the PRO/II
Reference Manual for further discussion.

Specification of the reaction set is required for the stoichiometric model. It is not allowed
for the shift or methanation reactors since built-in reaction sets are used for these models.
the data entered for these reactions will then be available to the reactor. The reactor can
use only one reaction set. The RXSTOIC statement is applicable only for the
stoichiometric reactor, for which it is required.
section. When multiple reactions are given, the reaction order can be rearranged in the
reactor unit as desired. The solution is dependent on the reaction order if the conversion
data specified in the reactor unit is based on the result of previous reactions (i.e., CBASIS
= REACTION). All reactions in the reaction set must be used and defined with conversion
data
Specifying Reactions (required)

Reaction specification statements are required for the stoichiometric reactor. For the shift
and methanation models, the REACTION statements are optional, but are required when
inputting fractional conversion data for each reaction.
Each reaction is specified using a set of statements appearing in the order shown in Table
14.2-2. For the stoichiometric model, each REACTION statement is followed immediately
by BASE and CONVERSION statements. For the shift and methanation models, the
BASE statement is not allowed, since CO is the fixed base component for both shift and
methanation reactions. An optional CONVERSION statement may, however, be input for
one or both of the two reactions to specify conversion data.
Table 14.2-2
Allowed Reaction Specification Sets
Reactor Model Statement Status
STOIC RXSTOIC required
REACTION required
BASE required
CONVERSION optional
METHANATION REACTION optional
CONVERSION optional
SHIFT REACTION optional
CONVERSION optional
REACTION rxid or SHIFT or METHANATION

reaction. It supplies the ID of the reaction defined in the reaction data section, or indicates
if it is a SHIFT or METHANATION reaction. For the reaction defined in the reaction data

section, the stoichiometry and heat of reaction data input in the reaction data section will
be available to the reactor. For the methanation model, both SHIFT and METHANATION
reactions can be specified using two REACTION statements, but for the shift model only
the SHIFT reaction can be specified.
BASE COMPONENT=cno (for MODEL=STOIC only)
The BASE statement is used to identify the base component of each reaction. It is
required for the stoichiometric model, and not allowed for the shift and methanation
models.
COMPONENT This entry identifies the base component used in the reaction
conversion calculations. The component must be involved in
the reaction as a reactant (not a product), and be present in
the reactor feed stream. If component ID entries for this
keyword are missing, the stoichiometric coefficients for the
REACTION are interpreted as absolute moles reacted.
CONVERSION(unit) C0, C1, C2 B B B B B B
One CONVERSION statement is allowed for each reaction. The fraction of the base
component reacted (CO for shift and methanation reactions) is given by:
2
Fraction converted = C0 + C1*T + C2*T
B B B B B B P P
where T is temperature. Input parameters C0, C1, and C2 are dimensionally dependent B B B B B B
upon the temperature unit. For the stoichiometric or shift model, if the CONVERSION
statement is not present, the default values C0=1.0, C1=0.0, and C2=0.0 indicate complete B B B B B B
conversion. For the methanation model, default values of the conversion factors are
C0=1.0, C1=0.0, and C2=0.0 for the methanation reaction, and C0=0.0, C1=0.0, and C2=0.0
for the shift reaction.

or
Valid <param> entries are PRESSURE, DP, TEMPERATURE, DUTY, CONVERSION(i)
and STOICHIOMETRY (cno). “i” is the number of the reaction of interest and ‘cno’ is the
component number. The reaction number is determined by counting the reactions in their
order of appearance in the input. Multiple DEFINE statements are allowed. Refer to
Section 10.5 for a description of the DEFINE feature.
A special DEFINE feature allows the mapping of an entire CALCULATOR RESULTS
vector into the first stoichiometric equation:
DEFINE STOICHIOMETRY(cno) AS CALCULATOR=uid, RESULT(rno)
The stoichiometric coefficient for component “cno” is set to the “R(rno)” value defined in
CALCULATOR ‘uid’. Furthermore, when “cno” equals 1, the stoichiometric coefficient for

component “cno + 1” is set to “R(rno + 1)”, etc., until the component number equals the
number of components in the flowsheet. When stoichiometric constants are furnished in
this manner, and it is desired to also supply a conversion level, a statement must be given
to identify the base component. For example:
REACTOR UID=R3
.
.
.
DEFINE STOICHIOMETRY(1) AS CALC=CALI, RESULT(1)
REACTION RX1
BASE COMP=6,
CONVERSION 0.95

METHOD SET=setid
two or more sets appear in the Thermodynamic Data Category of input. Refer to Section
Examples
1: HF Alkylation Unit (Conversion Calculations)
Alkylate feed stream 1 with isobutane from recycle stream 2 to produce high octane motor
fuel. Use a pressure of 40 psia and a temperature of 65É F. Remove vapor product as
stream 3 and liquid product as stream 4. The following components are present:
cno component cno component cno component

1 ethane 5 i-butane 9 C7 Alkylate
2 propylene 6 n-butane 10 C8 Alkylate
3 propane 7 1-pentene 11 C9 Alkylate
4 1-butene 8 i-pentene 12 HF
The liquid phase reactions on a mole basis are:
Reaction Percent Heat of Reaction,

Conversion K BTU/Mole at 77 F
EQUATION 90 -35
EQUATION 97.5 -34
EQUATION 99.8 -32

RXDATA
RXSET ID=1
REACTION ID=1
HORX HEAT=-35, REFCOMP=2, REFPHASE=L, REFTEMP(F)=77
REACTION ID=2
REACTION ID=3
$
UNIT OPERATION
CONREACTOR UID=RX2
FEED 1,2
PRODUCT L=3, V=4
OPERATION TEMPERATURE(F)=65, PRESSURE(PSIA)=40
RXCALC MODEL=STOIC
RXSTOIC RXSET=1
REACTION 1
BASE COMPONENT=2
CONVERSION .90
REACTION 2
BASE COMPONENT=4
CONVERSION .975
REACTION 3
BASE COMPONENT=7
CONVERSION .998
The REFPHASE entry on the HORX statements redefine the reference phase to
liquid from the default vapor. The heats of reaction (in thousands of energy units per mole
of reference component reacted) are negative, indicating exothermic reactions. For the
isothermal reactor, product temperature is specified, so the reactor computes the required
cooling duty.
2: Shift Reactor
• Model the shift reaction of a synthesis gas in stream F1 at 600É F and
90 psia. Use a fractional conversion of 20 percent.
CONREACTOR UID=S2, NAME=SHIFT ONLY
FEED F1
PROD V=V2
RXCALC MODEL=SHIFT
REACTION SHIFT
CONVERSION 0.20

3: Minimum Input to Execute a Shift Reactor
Simulate an ISOTHERMAL mode shift reactor running at the temperature and pressure of
the feed with 100 percent conversion of CO.
CONREACTOR UID=S1
FEED 1
PROD V=V1
RXCALC MODEL=SHIFT
4: Methanator
Methanate synthesis gas at a temperature of 600É F and a pressure of 90 psia. Convert
75 percent of the CO to CH4, and 20 percent of the CO to CO2.
The RXCALC statement is required to enable the methanator model. The REACTION
METH and REACTION SHIFT statements allow conversion statements for the two
reactions.
CONREACTOR UID=M2, NAME=SECOND STAGE
FEED 1
PROD V=V2
RXCALC MODEL=METHANATION
REACTION METHANATION
CONVERSION 0.75
REACTION SHIFT
CONVERSION 0.20
5: Minimum Input to Execute a Methanator

Simulate an ISOTHERMAL mode methanator running at the temperature and pressure of
the feed with 100 percent conversion of CO in the methanation reaction and zero
conversion in the shift reaction.
CONREACTOR UID=S1
FEED 1
PROD V=V1
RXCALC MODEL=METH

14.3 – GIBBS
U
REACTOR
Keyword Summary
GIBBS UID=uid, {NAME=text}

or
or

OPERATION PHASE=M or V or L or VL or LL or VLL,
U U
TEMPERATURE(unit)=value
ISOTHERMAL,
U U
or
TMAX(K)=3000, TMIN(K)=1.0,
PARAMETER MAXTRIALS= 50, TOLERANCE=0.0001,
FIBTOL= 0.01, PROFLAG=0,
PHYSPROP=1
TRIAL START=6, FREQUENCY=4,
INITIALPHASE=VL or V or L or LL or VLL,
U U
ELIMINATE=1.0E-6
Defining Reactions (optional)

ELEMENTS {REACTANTS(basis)= i, value / ...},
{COMPONENTS= i, value, ... / ...},

Chapter 14.3 GIBBS REACTOR 567

{NAMES= text, text, ...}
CONVERSION APPROACH(unit)=0.0,
{RATE(basis,unit)= i, value / ...},
{PERCENT= i, value / ...}
Specifying Reaction Set (optional)

RXSTOIC RXSET=setid

REACTION rxid
APPROACH DT(unit)=0.0 or EXTENT(basis,unit)=i,value
Each APPROACH statement must appear immediately following the corresponding
REACTION statement.

or
Valid <param> entries are TEMPERATURE, PRESSURE, DP and DUTY.

METHOD SET=setid
General Information
The Gibbs reactor module simulates a single-phase or multiphase reactor by solving heat
and material balances. Using minimization of Gibbs free energy, it calculates product
rates, compositions, and thermal conditions subject to an overall material balance. After
converging calculations in a declared vapor or liquid phase, an isothermal flash
determines the actual phase and prints a warning if the actual and declared phases
disagree. Mixed phase operation (the default) simultaneously determines the phase split
and the chemical equilibrium. The resulting product may be vapor, liquid, or mixed phase,
but no warning is issued.
The reactor may operate isothermally at a specified temperature or at the feed
temperature. Both temperature and pressure may be set to values different from those
derived from the feed stream(s). Adiabatic operation allows adding or removing a fixed
amount of heat and accepts limits imposed on operating temperature.
The Gibbs reactor considers all components given in the Component Data category,
unless constraints are imposed. Currently thermodynamic methods with K-value
calculated from SOUR, GPSWATER, AMINE, KDATA, and user-added subroutines are
not supported by the Gibbs reactor unit. Use of Henry’s law in the selected

thermodynamic set also is not supported. Free-water decant option should be avoided in
order to get rigorous solution. An entropy method for the operation phases must be
declared in the selected thermodynamic set. Free energy of formation for any PETRO or
NONLIBRARY components must be supplied. The program estimates heats of formation
for these components. SOLID components require the heat of formation in addition to the
free energy of formation and the molecular formula.
Several options impose overall constraints on the reactor. The user may specify product
rates and/or percent conversion of feed components. Another option sets the temperature
approach to chemical equilibrium for the entire reacting system. In this case, the reactor
determines chemical equilibrium at T + DT and computes properties at T, where T is the
reactor temperature and DT is the approach to chemical equilibrium.
No reaction stoichiometry is required, but supplying linearly independent stoichiometric
equations allows specifying either the extent of the reaction or the temperature approach
to chemical equilibrium. However, overall reaction temperature approaches are not
allowed when specifying the individual temperature approaches.
Input Description
GIBBS UID=uid, {NAME=text}
The GIBBS statement must appear as the first statement of each GIBBS reactor module.
All entries are general to all unit operations, as described in Section 10.2.

or
or
Each GIBBS reactor module requires one FEED and one PRODUCT statement. All
entries on both statements are general to all unit operations. Refer to Section 10.2 for a
description of their usage.
VLLE Calculations

OPERATION PHASE=M or V or L or VL or LL or VLL,
U U
TEMPERATURE(unit)=value

ISOTHERMAL,
U U
or
TMAX(K)=3000, TMIN(K)=1.0
ISOTHERMAL mode at the temperature and pressure of the combined feed.
PHASE This optional entry specifies the reaction phase, where L=liquid,
V=vapor, VL=vapor-liquid, LL=liquid-liquid, VLL=vapor-liquid-
liquid, and M=mixed phase. For PHASE=M, either specified or
by default, the reactor determines the correct phase based on
the minimization of Gibbs free energy.
or products, while DP is the pressure drop below the pressure of
DP the combined feed. The default is DP=0.0.
TEMPERATURE When used with the ISOTHERMAL mode of operation, the
TEMPERATURE entry defines the outlet temperature of the
reactor products. When used with the ADIABATIC mode of
operation, the TEMPERATURE entry defines an initial
temperature estimate. When both the TEMP and ADIABATIC
entries are missing, the reactor operates at the temperature of
the combined feed.
ISOTHERMAL This keyword specifies the default mode of operation. In this
or mode, the TEMPERATURE entry may define the operating
ADIABATIC temperature at which the duty is calculated. The DUTY, TMAX,
and TMIN entries are invalid in ISOTHERMAL mode. Presence
of the ADIABATIC keyword specifies adiabatic operation, which
calculates the outlet temperature that satisfies the overall
energy balance. This option allows the DUTY, TMAX, and TMIN
entries. The default mode is ISOTHERMAL operation.
amount of heat transferred between the reactor and an external
medium. Values must be entered in millions of energy units per
unit time. Positive values indicate heat input to the reactor. By
default, DUTY = 0.0.
TMAX These optional maximum and minimum temperature limits
TMIN apply only to ADIABATIC reactors. If necessary, the module

recalculates the duty specified by the DUTY entry to constrain
the outlet temperature within the limits specified by TMIN and
TMAX. By default, TMIN = 1.0 K and TMAX = 3000.0 K (or

equivalent). The allowed temperature range is between 1 to
3000 K.
PARAMETER MAXTRIALS= 50, TOLERANCE=0.0001,
FIBTOL= 0.01, PROFLAG=0,
PHYSPROP=1
The PARAMETER statement and all entries on it are optional. It provides options that
control reactor calculations.
MAXTRIALS This entry specifies the maximum number of iterations

allowed to reach a solution. The default is 50.
TOLERANCE The TOLERANCE option sets the relative convergence
tolerance. The default is 1E-4 for isothermal condition and
1E-6 for adiabatic condition.
FIBTOL This specifies the tolerance used to converge the Fibonacci
search calculations. The default is 0.01.
PROFLAG This entry selects the method used to generate a starting
estimate of product rates. Available options appear in Table
14.3-1. When initial estimate of product rates is provided by
the user, the default is 2; otherwise, the default is 0 and the
initial estimate will be generated by PRO/II.
Table 14.3-1
Product Rate Starting Estimate Options
PROFLAG= Description
0 (default) PRO/II default initial estimate.
1 Average all the feeds.
2 Use values given by the REACTANTS entry on the
ELEMENT statement.
PHYSPROP The PHYSPROP entry selects the option used for handling
physical property evaluations. Available options are listed
in Table 14.3-2.

Table 14.3-2
Physical Property Evaluation Options
PHYSPROP= Description
0 Use values from previous iteration.
1 Reevaluate values at each step of the search.
(default)
TRIAL START=6, FREQUENCY=4,

INITIALPHASE=VL or V or L or LL or VLL,
U U
ELIMINATE=1.0E-6
The TRIAL statement and all its entries are optional. It provides options for handling the
case when the number of phases in the reactor is unknown (PHASE=M), and reaction
phase is determined by PRO/II using iterative calculations.
START This entry specifies the calculation iteration number when the
phase split is first attempted. The default is the sixth iteration.
FREQUENCY This specifies the number of iterations between cycles of
phase split trial. The default is 4.
INITIALPHASE This entry is the initial guess of the fluid phases in the reactor.
Allowed phases are VL or V or L or LL or VLL. the default is
VL.
ELIMINATE This entry specifies the threshold level used to determine the
existence of a fluid phase. A fluid phase is considered to exist
in the reactor only if the molar ratio of a fluid phase to the
total fluid is greater than the threshold value. The default
value is 1.0E-6.
Defining Reactions (optional)

ELEMENTS {REACTANTS(basis)= i, value / ...},
{COMPONENTS= i, value, ... / ...},
{NAMES= text, text, ...}
Entries on this statement place constraints on the chemical equilibrium reactions. All
entries are optional.

REACTANTS This entry restricts the reaction to specified components and
provides estimates of reactor products. It is optional.
i The “i” arguments are component numbers that identify

components involved in the reaction. Components not
referenced by this entry are treated as chemically inert.
value The optional “value” entries provide estimates of

component rates in the reaction products on a molar
(default) or weight basis. Both molar and weight units
may be used simultaneously.
For example, assume weight units of pounds and time in
hours. It is desired that only components 1, 2, 3, 5, and 7
should react. Product weight estimates of components 1, 3,
and 7 are 500, 450, and 850 pounds per hour. Product molar
rate estimates for components 2 and 5 are 23 and 12.5,
respectively. The following statement defines these
restrictions:
ELEMENTS REACTANTS(W)=1,500/3, 450/7, 850, &

REACTANTS(M)=2, 23 / 5, 12.5
COMPONENTS This entry is required only when one or more components
involved in the reaction are not a LIBID component. In this
case, all reacting components must be defined with this entry.
Each component participating in the reaction is considered to
be made up of invariant atomic groups defined by the
NAMES entry.
i The “i” arguments are component numbers. Every

reacting component must be included.
value Each “value” represents the stoichiometric amount of
an invariant atomic group. Values are entered in the
order used on the NAMES entry. Zero valued
coefficients may be indicated by corresponding zero or
blank entries. Refer to the examples at the end of this
section.
NAMES The NAMES entry supplies optional labels of the chemically

invariant atomic groups for more convenient reference. The
labels appear as headings on the element matrix during input
processing. Group names consist of one to four characters
delimited by commas. The order of entry must correspond to
the order used to enter the group coefficients with the
associated COMPONENTS keyword.

Blank entries result in default labels of the form “ELMn”,
where n is the group number. For example,
NAMES=AA,,BB,,CC results in the labels AA, ELM2, BB,
ELM4, and CC. A maximum of 21 groups is allowed.
As an example, consider the following participating

components:
LIBID 1,WATER / 2,METHANE / 3,DMF / 4,H2 /.../ &

7,CO2 / 8,N2
A matrix of invariant groups might be constructed as:
Constituent groups
cno Component Formula
H2
B B O2 B B C N2
B B
1 WATER H2O 1 0.5 0 0

2 METHANE CH4 2 0 1 0
3 DMF C3H7NO 3.5 0.5 3 0.5
4 HYDROGEN H2 1 0 0 0
7 CO2 CO2 0 1 1 0
8 NITROGEN N2 0 0 0 1
An appropriate ELEMENTS statement for this system is:

ELEMENTS NAMES=H2, 02, C, N2, &
COMPONENTS=1, 1, 0.5 / 2, 2,, 1 / &
3, 3.5, 0.5, 3, 0.5 / 4, 1 / &
7, 0, 1, 1 / 8,,,,1, &
REACTANTS=1 / 2 / 3 / 4 / 7 / 8
For this example, all the components are present in the Component
Library, so the COMPONENTS and NAMES entries are not normally required. If
any NONLIB or PETRO components are present, the COMPONENT entry is
required.

CONVERSION APPROACH(unit)=0.0,
{RATE(basis,unit)= i, value / ...},
{PERCENT= i, value / ...}
The optional CONVERSION statement defines data common to all reactions. Over-
specification may cause a singular matrix, and should be avoided.
APPROACH This specifies the overall temperature approach to

chemical equilibrium for the reactor. A positive value
indicates the equilibrium point will be calculated at a
temperature above the reaction temperature.
RATE Used to enter fixed rates for selected components in the
reaction products, RATE may be given on a molar (M) or
weight (W) basis. The default basis is M. For example, a
product rate of 150 pounds per time unit of component 3
could be specified by:
RATE(W)= 3, 150
PERCENT This entry may specify the conversion percentage of
selected reactive components present in the feed. For
example, to constrain the overall equilibrium reaction to
consume 45 percent of feed component 23 and 80 percent
of feed component 15, use:
PERCENT= 23, 45 / 15, 80
Specifying Reaction Set (optional)

Specification of the reaction set is optional. The reaction set from the reaction data section
to be used in the reactor is specified on the RXSTOIC statement using the RXSET
keyword. All the reactions belonging to that set will then be available to the reactor. The
reactor can use only one reaction set.
RXSTOIC RXSET=setid

The REACTION statement is optional, and specifies the reaction from the reaction set to
be used. The REACTION statements specify the coefficient matrix for a complete set of
linearly independent chemical reactions involving all participating components. There
should be one REACTION statement for each reaction and the associated APPROACH
statement. The following guidelines can be used to determine the set of independent
chemical reactions.

The number of chemical reactions (i.e., the number of REACTION statements) must equal
the number of chemical species minus the number of effective atoms. Usually, the number
of effective atoms is the number of atomic species.
The number of effective atoms differs from the number of atomic species when two or
more atoms always occur together in the same proportion. For example, consider the
chlorination of ethylene:
14.3-1
There are 3 atomic species (C, H, Cl), but C and H always occur in a 1:2 ratio. Therefore,
the number of effective atoms is 2 (Cl and CH2). These two effective atoms represent the
three chemical species, so only one chemical reaction is allowed.
REACTION rxid
The REACTION statement is the first statement in a pair of statements specifying a single
reaction. It supplies the ID of the reaction defined in the reaction data section.
APPROACH DT(unit)=0.0 or EXTENT(basis,unit)=i,value
The APPROACH statement optionally specifies the temperature approach or extent data
for the reaction. This statement should immediately follow the REACTION statement.
DT The DT entry specifies the difference between the reaction

temperature and the temperature used to calculate the
equilibrium point. A positive value indicates the equilibrium
point will be calculated at a temperature above the reaction
temperature.
EXTENT The EXTENT entry defines the amount of a specified
component that participates in the reaction. The specified
component is one of the reacting components included in
the corresponding reaction. A positive value shifts the
reaction toward the products, while a negative value shifts
the reaction toward the reactants.
As an example, assume the following reaction is
endothermic and produces 125 moles per time unit of
formaldehyde when run at 35 degrees below the equilibrium
temperature:
1 2 3 4 (cno)
These conditions can be defined using a REACTION statement and an APPROACH
statement:

REACTION 1
T
APPROACH DT=-35, EXTENT=3, 125

T
The reaction stoichiometry must have been defined earlier for the reaction within a
reaction set in the reaction data section.

or
Valid <param> entries are PRES, DP, TEMP, and DUTY. Multiple DEFINE statements
are allowed. Refer to Section 10.5 for a description of the DEFINE feature.

METHOD SET=setid
two or more sets appear in the Thermodynamic Data section of input. Refer to Section
Examples
1: Shift Reaction (Equilibrium Calculations)
Model the water gas reaction:
in the vapor phase at the temperature and pressure of the combined feed. The
compositions of feed streams 1 and 3 are:
Rates, Moles/Hr
cno Component Stream 1 Stream 3
1 H20
B B 1970 5910
2 C0 1580 0
3 H2 B B 6880 0
4 C02 B B 960 0
GIBBS UID=G1, NAME=SHIFT CONV

FEED 1, 3
PRODUCT V=5
2: Combined methanation and shift reactions.

Methanate the synthesis gas in stream 7. Use the reactions and estimates of the
composition for stream 9 as shown below.
RATES, MOLES/HR
cno Component Feed Est. Product
Stream 7 Stream 9
1 H20
B B 50 4000
2 C0 4150 50
3 H2 B B 12600 200
4 C02 B B 80 100
5 CH4 B B 1420 6000
6 N2 B B 880 0
1. Use ADIABATIC operation to remove heat at a rate of 380 million Btu/hr of heat.
2. Estimate the reaction temperature at 650 F.
3. Operate at a pressure of 90 psia.
4. Set the overall temperature approach to 20 F below the system equilibrium
temperature.
5. Exclude nitrogen from all reactions.
6. Use the product rate estimates shown above.
7. Use only the invariant elemental groups H2, O2, and C.
8. Limit the extent of the shift reaction to 140 pounds of carbon monoxide (CO).

RXDATA
RXSET ID=1
REACTION ID=1
REACTION ID=2
$
UNIT OPERATION
GIBBS UID=G2, NAME=GIBBS2
FEED 7
PRODUCT V=9
OPERATION ADIABATIC, DUTY(BTU/H)=-380, &
TEMPERATURE(F)=650, PRESSURE(PSIA)=90
CONVERSION APPROACH(F)=-20
ELEMENTS REACTANTS=1,4000/2, 50/3,200/4,100/5,6000, &
NAMES=H2,O2,C, &
COMPONENTS=1,1,0.5/2,,0.5,1/3,1/4,,1,1/5,2,,1
RXSTOIC RXSET=1
REACTION 1
REACTION 2
APPROACH EXTENT(W,LB/HR)=2,140
All the components are present in the Component Library, so the COMPONENTS
and NAMES entries are not required. Also, the value of DUTY is negative, indicating heat
removal.


14.4 – PLUG FLOW
U
REACTOR
Keyword Summary
PLUGFLOW UID=uid, {NAME=text}

or
or
Specifying Reaction Set (required)

RXSTOIC RXSET=setid

REACTION rxid
KINETIC COMPONENT=cno, PEXP (temp unit, weight unit,

volume unit, press unit, time unit)= 1.0,
ACTIVATION(unit) = 0.0, TEXPONENT = 0.0
KORDER i, expo /...

Each KINETIC and KORDER statement must appear immediately following the
Calculation Options (required)

OPERATION LENGTH(lunit)=value, DIAMETER(flunit)=value,
TUBES=1, PHASE=V or L, U U
DPIN(unit)=0.0 or PIN(unit)=value,
DP(unit)=0.0 or PRESSURE(unit)=value, POINTS=10,
THERMAL, TEMPERATURE(unit)=value
U U
or
or COCURRENT and U(unit)=1.0

Chapter 14.4 PLUG FLOW REACTOR 581

or COUNTERCURRENT and U(unit)=1.0

RXCALC {CONCENTRATION or PARTIALPRES or ACTIVITY or
U U
FUGACITY}, RUNGEKUTTA, {NSTEPS=20 or

U U
STEPSIZE(unit)=value},
or
{GEAR, TOLERANCE(PCT)= 0.1},
or
{LSODA, TOLERANCE (PCT)=0.1},
{KINETICS(POWERLAW or SUBROUTINE or
U U
PROCEDURE) =id}
TPROFILE(lbasis/lunit,tunit) location, temp { / location, temp / ... },
and/or
PPROFILE(lbasis/lunit,punit) location, pres { / location, pres / ...},
or
PROFILE(lbasis/lunit, tunit,punit) location, temp, pres {/location, temp, pres / ... },
PRINT PATH
Pressure Drop Calculation (optional)

OPENPIPE {DPCORR= BBM or BBP or OLIMENS or DEF or MB
U U
or GRAY or HB or DP1 or DP2},

DPTOL(PCT)=1.0, FLOWEFF(PCT)=100, {FRICTION=value},
AROUGH(flunit)=0.0018 or RROUGH, {NOACCEL}
PACKING {DPCORR= ERGUN or DP1 or DP2}
U U
CATALYST PDIAM(flunits)=value, PORO (FRACT) = value,

SPHE = value
or
PSHAPE=SPHERICAL
or
PSHAPE = CYLINDRICAL , PLENGTH(flunits)=value

External Heating/Cooling (optional)
HOT FEED=sid,
or V=sid and/or L=sid or M=sid, {W=sid},
COLD {PIN(unit)=value or DPIN(unit)=0.0},
{POUT(unit)=value or DP(unit)=0.0},
{TOUT(unit)=value }
User-Added Kinetics In-Line Procedure Data (optional)

DEFINE PDATA(elno) AS <unit type>=uid, <param> ...,
or
DEFINE PDATA(elno) AS STREAM=sid, <prop> ...
User-Added Kinetics Data (optional)

IDATA ivalue1, {ivalue2, ...},
B B B B
RDATA value1, {value2, ...},

B B B B
SUPPLEMENT elno, value, {value, ... / elno, value, ...}

or

METHOD SET=setid
General Information
The PLUGFLOW reactor simulates a tubular reactor exhibiting plug flow behavior. The
two basic assumptions defining plug flow are (1) no axial (longitudinal) mixing or heat
transfer and (2) equal transit time through the reactor for all fluid elements.
This unit calculates conversions for simultaneous reactions. Reaction rates are
determined using either the built-in power law model or a custom kinetics algorithm
provided as a User-Added Subroutine or In-Line Procedure. See Section 10.7 for a

discussion on In-Line Procedures. Also, refer to the PRO/II Data Transfer and User-Added
Subroutines User’s Guide for information about creating and installing User-Added
Subroutines.
The module may operate in various modes, including adiabatic mode with or without heat
duty specified, isothermal or fixed temperature profile mode, and either co-current or
counter-current mode with an external heating or cooling stream. Counter-current thermal
operation requires a defined outlet temperature for the external heating/cooling stream.
When necessary, the reactor resets the inlet temperature and enthalpy of the external
stream and prints a warning message. To simulate a fixed inlet temperature for the
heating/cooling stream, use a CONTROLLER to vary the outlet temperature to obtain the
desired inlet temperature.
Pressure drop may be calculated rigorously using an an open pipe model (using the same
correlations available in the Pipe unit operation), or as a packed bed using the Ergun
equation. In addition, both open pipe and packed bed models allow the user to supply
pressure drop correlations (user defined) via User-Added Subroutines. Pressure drops
and composition changes are calculated simultaneously in each calculational element.
Table 14.4-1 summarizes the input requirements of the various operational modes.
Table 14.4-1
Plugflow Reactor Input Requirements
Mode of Operation
STATEMENT THERMAL ADIABATIC COCURRENT COUNTER-
CURRENT
PLUG, FEED, Required Required Required Required
and
PRODUCT
RXSTOIC Required Required Required Required
REACTION, Optional Optional Optional Optional
KINETICS,
KORDER
OPERATION Required Required Required Required
RXCALC Optional Optional Optional Optional
PROFILE or Optional
TPROFILE
PPROFILE Optional Optional Optional Optional
PRINT Optional Optional Optional Optional
OPENPIPE Optional Optional Optional Optional
PACKING Optional Optional Optional Optional
HOT or COLD Required Required

METHOD Optional Optional Optional Optional
DEFINE Optional Optional Optional Optional
PDATA Optional Optional Optional Optional
IDATA, Optional Optional Optional Optional
RDATA,
SUPPLE
Input Description
PLUGFLOW UID=uid, {NAME=text}
The PLUGFLOW statement must appear as the first statement of each PLUGFLOW
module. All entries are described in Section 10.2.

or
or
Each PLUGFLOW module requires one FEED and one PRODUCT statement. All entries
on both statements are general to all unit operations, as described in Section 10.2.
VLLE Calculations
The PLUGFLOW reactor does not support rigorous modeling of two liquid phases. VLLE
thermodynamics do not apply to this module.

use only one reaction set.
RXSTOIC RXSET=setid

Each reaction is specified by a REACTION statement followed immediately by the
KINETIC and KORDER statements.
REACTION rxid
reaction. It supplies the ID of the reaction. The stoichiometry, heat of reaction data, and
kinetics data entered for the reaction in the reaction data section will be available to the
reactor.
KINETIC COMPONENT=cno,
PEXP(temp unit, weight unit, volume unit, press unit, time unit)=1.0,
ACTIVATION(unit)=0.0, TEXPONENT=0.0
The KINETIC statement is used to identify the base component of each reaction. Other
entries are optional and define the activation energy, preexponential (frequency) factor,
and temperature exponent for the default power law kinetics.
COMPONENT This entry identifies the base component used in the

reaction conversion report. The component must be involved
in the reaction as a reactant (not a product). It is defaulted to
the base component of heat of reaction in the reaction data
section.
The kinetic parameters, PEXP, ACTIVATION, and TEXPONENT, if input on the KINETIC
statement are used to overwrite values of these parameters previously input in the
reaction data section. If no kinetic data set was entered for the reaction in the reaction
data section, then the defaults given below are used.
PEXP This is the preexponential (frequency) factor for the rate

expression of the power law kinetics model. The default value
is PEXP=1.0 with all units defaulted to the units determined
by the DIMENSION statement in the General Data Category..
specific enthalpy units per mole. The default value is zero.
The available qualifiers are listed in the Specific Enthalpy
class of dimensional units. Please refer to the Specific
Enthalpy class of dimensions in Table 4.2 for a complete list
of available dimesnions. If missing, the specific enthalpy
defaulted or supplied in the reaction data section is used.
TEXPONENT The temperature exponential factor in the rate equation. The
default value of TEXPONENT is zero.
KORDER i, expo/...
The exponents or orders of component activities of reactants and products used in the
power law expression are specified using the KORDER statement.

I ‘’i’’ is the component number
expo This entry is the exponent used for the reactant

component activity when using the default power law
expression. If omitted for a reactant, the power law uses the
absolute value of the molar stoichiometric coefficient supplied by
the ‘’coef’’ entry on the STOIC statement of the reaction
definition. Default values for product components are always
zero.

OPERATION LENGTH(lunit)=value, DIAMETER(flunit)=value,
TUBES=1, PHASE=V or L, U U
DPIN(unit)=0.0 or PIN(unit)=value,
DP(unit)=0.0 or PRESSURE(unit)=value, POINTS=10,
THERMAL, TEMPERATURE(unit)=value
U U
or
or
COCURRENT and U(unit)=1.0
or
COUNTERCURRENT and U(unit)=1.0
The OPERATION statement is required to define the LENGTH and DIAMETER of the plug
flow reactor. All other entries are optional. Table 14.4-2 lists the input requirements.
LENGTH The LENGTH entry is required to specify the total effective

length of the reactor. Default dimensions are feet for
ENGLISH and meters for METRIC or SI.
DIAMETER The DIAMETER entry is required to specify the inside
diameter of the reactor tube. Default dimensions are inch for
ENGLISH and millimeters for METRIC or SI.
TUBES This entry declares the number of tubes in parallel in the

reactor. The default is 1 tube.
PHASE This optional entry specifies the reactor operation phase,

where L=Liquid and V=Vapor. The default is vapor.
DPIN DPIN indicates pressure drop below the pressure of the

or combined feed. PIN specifies the inlet pressure of the
PIN process feed streams to the reactor. If both DPIN and PIN
are missing, the default is DPIN=0.0, the pressure of the
combined feed.

DP DP denotes the pressure drop through the reactor, while
or PRES specifies the outlet pressure from the reactor. Both
PRES entries assume a linear pressure drop along the length of
the reactor. If none of PRES, DP or a pressure profile are
specified, the default values are PRES = PIN and DP = 0.0
POINTS The POINTS entry specifies the number of points along the
length of the reactor included in the reactor profile printout. A
maximum of 100 points is allowed. The default is 10 points.
THERMAL Presence of the THERMAL keyword indicates the default

thermal mode of operation and implies a fixed reactor
temperature or fixed temperature profile.
or The ADIABATIC option selects the adiabatic mode of

ADIABATIC operation. This mode allows use of the DUTY entry to
specify the addition or removal of heat.
or Either of these entries specifies an external heating or
COUNTER cooling stream configured either counter-currently or co-
or currently to the process flow in the reactor. By default, no
COCURRENT external stream exists.
TEMP The TEMP entry specifies the reactor temperature for
THERMAL (default mode) operation. If omitted, the reactor
operates at the combined feed temperature.
or In ADIABATIC mode only, this entry specifies the heat duty

DUTY in millions of energy units per time unit. A negative value
indicates heat removal. Heat transferred to or from the
reactor is distributed linearly along the length of the reactor.
The default DUTY is 0.0.
U The U entry defines the heat transfer coefficient per unit of
reactor tube wall area. It is required only with the
COCURRENT or COUNTERCURRENT options; otherwise,
2
it is not allowed. The default value is 1.0 Btu/ft -hr-°F
P P
(English units).

Table 14.4-2
OPERATION Statement Input Requirements
Mode of Operation
KEYWORD THERMAL ADIABATIC COCURRENT COUNTER-
CURRENT
LENGTH and required required required required
DIAMETER
U required required
TEMP optional
DUTY optional
DPIN or PIN optional optional optional optional
DP or PRES optional optional optional optional
PHASE optional optional optional optional
POINTS optional optional optional optional
TUBES optional optional optional optional

RXCALC {CONCENTRATION or PARTIALPRES or ACTIVITY or
U U
FUGACITY},
RUNGEKUTTA, {NSTEPS=20 or STEPSIZE(unit)=value},

U U
or
{GEAR, TOLERANCE(PCT)= 0.1},
or
{LSODA, TOLERANCE (PCT)=0.1},
U U
PROCEDURE) =id}
The RXCALC statement and all entries on it are optional. Options allow declaring the
activity basis and the integration method, and defining various calculation parameters.
Other entries identify kinetic models supplied by the user as in-line procedures or as User-
Added Subroutines.

CONCENTRATION The appearance of one of these keywords selects the
or activity basis used in the rate equations. CONCENTRATION
PARTIALPRES specifies the default basis of moles/volume. Similarly,
or PARTIALPRES selects partial pressure, ACTIVITY selects
ACTIVITY or the liquid-phase activity, and FUGACITY selects the vapor-
FUGACITY phase fugacity as the basis used in the rate equations.
RUNGEKUTTA These two entries select the integration method.
or RUNGEKUTTA specifies the fixed step size Runge-Kutta
GEAR method, which is the default. It is the preferred method when
or no steep concentration or temperature gradients exist along
LSODA the length of the reactor. The variable step size GEAR
method may be specified as an alternative to the Runge-
Kutta method. The LSODA method is particularly suited for
solving a system of stiff differential equations.
NSTEPS Either of these entries is valid only with the Runge-Kutta
or integration method. NSTEPS defines the number of
STEPSIZE integration steps. Alternatively, STEPSIZE defines the
integration step size in standard units of length. The default
dimension of STEPSIZE is feet (English) or meters (metric
or SI). If neither entry is used, the default is NSTEPS=20.
or Valid only with the GEAR and LSODA integration methods,
TOLERANCE this entry allows defining the integration-step tolerance as a
percentage. The default value is 0.1 percent.
KINETICS This instructs the program to calculate rates of reaction
using either a user-supplied algorithm or the default power
law kinetics model shown in Table 10.8-1. The PRO/II Data
Transfer andUser-added Subroutines User’s Guide contains
instructions for creating and installing User-added
Subroutines. Also see Section 10.7 for a description of In-
Line Procedures.
POWERLAW This specifies the default power law
kinetics described in Table 10.8-1. The ‘id’ entry is
invalid with this option.
SUBROUTINE This entry selects a User-Added
Subroutine written in FORTRAN to perform
reaction rate calculations. The ‘id’ entry described
below supplies the subroutine name.
PROCEDUREThis option specifies an In-Line
Procedure to perform reaction rate calculations.
The ‘id’ entry supplies the identifier of the procedure.
When using the KINETICS(SUBROUTINE or
PROCEDURE) option, the user must supply an algorithm for
calculating reaction rates. In this case, the ‘id’ entry must
supply either the name of the in-line kinetics procedure or an

identifier for the FORTRAN subroutine. The name of an In-
Line Procedure contains up to eight characters. Keywords
‘U1’, ‘U2’, ‘U3’, ‘U4’, or ‘U5’ correspond to User-Added
Subroutines ‘USKIN1’, ‘USKIN2’, ‘USKIN3’, ‘USKIN4’, or
‘USKIN5’.
TPROFILE(lbasis/lunit,tunit) location, temp { / location, temp / ... },
and/or
PPROFILE(lbasis/lunit,punit) location, pres { / location, pres / ...},
or
PROFILE(lbasis/lunit, location, temp, pres {/location, temp, pres / ... },
tunit,punit)
TPROFILE, PPROFILE, and PROFILE statements are allowed only with the THERMAL
(default) mode of operation. They specify optional temperature and/or pressure profiles
throughout the length of the reactor. Each supplied profile must include at least one point.
TPROFILE supplies the temperature profile while PPROFILE provides the pressure
profile. If all locations of the temperature and pressure values coincide, the PROFILE
statement may supply both the temperature and pressure profiles.
Interpolated values are used for temperatures or pressures between specified locations. If
the profile covers only part of the reactor, the final temperature or pressure applies to the
remaining length. When given a single temperature, the reactor operates isothermally. If a
single pressure is given, the reactor operates isobarically.
The optional lbasis qualifier selects the basis for locating points along the reactor length.
PCT indicates locations specified as percentages of total reactor length, while FRAC
indicates locations specified as fractions of total reactor length. If no lbasis qualifier is
provided, default of actual distance along reactor length is used. In this case, a unit
qualifier for length can be provided. Moreover, unit qualifiers for temperature and pressure
can also be specified.
loc This is the linear distance along the length of the reactor
tube from the reactor entrance. By default, location is
the actual distance along the reactor length.
temp This entry is a temperature value at the position
specified by the “loc” entry.
pres This entry is a pressure value at the position specified
by the “loc” entry.
PRINT PATH
PATH Presence of this keyword prints a trace of the reaction

path used in calculating the heat of reaction. See the

PRO/II Reference Manual for further discussion.
Pressure Drop Calculation (optional)
OPENPIPE {DPCORR= BBM or BBP or OLIMENS or DEF
U U
or MB or GRAY or HB or DP1 or DP2},

DPTOL(PCT)=1.0, FLOWEFF(PCT)=100, {FRICTION=value},
AROUGH(flunit)=0.0018 or RROUGH, {NOACCEL}
The presence of OPENPIPE statement indicates that there is no packing in the reactor.
The OPENPIPE statement and PACKING are mutually exclusive. The absence of both of
these statements implies an OPENPIPE with user specified pressures.
DPCORR The DPCORR entry selects the correlation method for

calculating the pressure drop in the line. The absence of
a DPCORR keyword implies no pressure drop calculation
(pressure in the pipe is user supplied). The presence of
the DPCORR keyword reverts to a default correlation of
BBM. See Table 14.4-3 for available methods.
DPTOL An optional relative convergence tolerance for the
pressure drop calculations. The default allows a one
percent maximum change in the calculated pressure drop
per segment.
FLOWEFF The flow efficiency, expressed as a percentage, enables
linear adjustment of the calculated pressure drop to match
actual conditions. The default is 100 percent. For given
flow conditions, decreasing FLOWEFF causes a
corresponding increase in the calculated pressure drop.
The value for FLOWEFF may be greater than 100. Where
possible, AROUGH and/or FRICTION are preferred to
FLOWEFF for accurate calibration of results.
FRICTION This entry allows the user to define the Moody friction
factor. If not supplied, the PIPE unit calculates the Moody
friction factor using the modified Colebrook-White
equations.
AROUGH AROUGH is the absolute roughness and RROUGH is the
or relative roughness of the pipe. The default value is an
RROUGH absolute roughness of 0.0018 inch (or equivalent).
RROUGH is dimensionless. When using either of these
entries, the roughness applies to the fitting as well as the
line, when the PIPE unit includes calculations for both.
NOACCEL Presence of this keyword disables the acceleration

pressure gradient. Under certain high velocity or high
pressure drop conditions, the Beggs and Brill acceleration
term becomes unrealistically large and dominates the
equation. Dropping the term results in a better answer in

this case. Note that the Beggs and Brill equation was not
developed for the critical flow region.
Table 14.4-3
Open Pipe Pressure Drop Correlation
DPCORR Description
BBM Beggs-Brill-Moody.
BBP Beggs-Brill-Moody with Palmer modification to liquid holdup
OLIMENS Olimens
DEF Dukler-Eaton-Flanigan
MB Mukherjee-Brill
GRAY Gray
HB Hagedorn-Brown
DP1 or DP2 User-Added Subroutine
PACKING {DPCORR= ERGUN or DP1 or DP2}

U U
CATALYST PDIAM(flunits)=value, PORO (FRACT) = value,

SPHE = value
or
PSHAPE=SPHERICAL
or
PSHAPE = CYLINDRICAL , PLENGTH(flunits)=value
DPCORR Pressure drop calculation method in the packed bed.

See Table 14.4-4 for available methods.
PDIAM Diameter of the average catalyst particle. For spherical
particles, the dameter of the sphere. For cylindrical
paricles, the diameter of the cylinder.
PLENGTH For cylindrical particles only, the length of the cylinder.
PSHAPE The shape of the particle. Options are:
SPHERICAL Spherical particle.
or CYLINDRICAL Cylindrical particle.

SPHERICITY Sphericity of the catalyst
POROSITY Void fraction of packed bed

Note: If neither Sphericity (SPHE) nor Particle Shape (PSHAPE) are specified then
the input defaults to SPHE = 1.0, which is equivalent to PSHAPE = SPHERICAL .
Table 14.4-4
Pressure Drop Correlation
DPCORR Description
ERGUN Ergun equation for packed beds.
DP1 or DP2 User-Added Subroutine
External Heating/Cooling (optional)

HOT FEED=sid,
or V=sid and/or L=sid or M=sid, {W=sid},
COLD {PIN(unit)=value or DPIN(unit)=0.0},
{POUT(unit)=value or DP(unit)=0.0},
{TOUT(unit)=value }
Either of these optional statements is allowed only in the COCURRENT or
COUNTERCURRENT mode of operation. The HOT statement defines an external heating
stream, while the COLD statement specifies an external cooling stream.
FEED This required entry identifies the heating or cooling stream

fed to the reactor. Only one stream identifier is allowed.
V, L or M, W These entries specify the phase condition of the external
heating or cooling stream(s) leaving the reactor. Usage is
the same as on the generalized PRODUCT statement
described in Section 10.2. One of the combinations V or L
or V and L or M is required. The water decant entry, W, is
optional.
S For systems with solids, the solids may be separated into
a stream designated by S. If S is not given, all solids will
leave the separator with the liquid phase stream.
PIN The PIN entry defines the inlet pressure of the heating or
or cooling stream. Alternatively, DPIN specifies a pressure
DPIN drop below the pressure of the (feed) heating or cooling
stream. If both entries are omitted, the inlet pressure is set
to the pressure of the reactor feed stream.
POUT The PRES entry denotes the outlet pressure of the
or heating or cooling stream. Alternatively, the DP entry
DP specifies a linear pressure drop through the reactor for
the heating or cooling stream. If neither PRES nor DP is
specified, default values are PRES = PIN, and DP = 0.0.

TOUT The TOUT entry defines the outlet temperature of the
heating or cooling stream. It is required only for the
COUNTERCURRENT mode of operation to allow back-
calculating of the inlet temperature. To simulate a fixed
inlet temperature, use a controller to vary the outlet
temperature (TOUT), and specify the inlet temperature
(TIN).

or
The PDATA and DEFINE statements allow transferring data between the PLUGFLOW
unit operation and a user-supplied In-Line Procedure that performs reaction kinetics
calculations. These statements are allowed only when using the
KINETICS=PROCEDURE option on the RXCALC statement. See Section 10.5 for a
description of the DEFINE statement. Also refer to Section 10.7 for information about
defining In-Line Procedures.
User-Added Kinetics Subroutine or In-Line Procedure Data

(optional)
IDATA ivalue1, {ivalue2, ...},
B B B B

B B B B
SUPPLEMENT elno, value, {value, ... / elno, value, ...}

The IDATA, RDATA, and SUPPLEMENT statements allow transfer of data between the
PLUGFLOW unit operation and a User-Added Subroutine or In-Line Procedure that
performs reaction kinetics calculations. These statements are allowed only when using
either the KINETICS=SUBROUTINE or the KINETICS=PROCEDURE option on the
RXCALC statement. Refer to the PRO/II User-Added Subroutines Manual for information
about creating, installing, and accessing user-added subroutines.

or
Table 14.4-5 lists all valid <param> entries. Multiple DEFINE statements are allowed.
Refer to Section 10.5 for a description of the DEFINE statement.
Table 14.4-5
Define Statement <param> Entries

Keyword Statement Description
DIAMETER OPERATION Inside diameter of reactor tube
DP OPERATION Pressure drop through reactor
DUTY OPERATION Duty of an adiabatic reactor
LENGTH OPERATION Total effective reactor length
PRES OPERATION Outlet pressure of the reactor
TEMP OPERATION OPERATION Isothermal reactor
temperature
RDATA(i) RDATA Real data for user-added kinetics
TUBES OPERATION OPERATION Number of parallel
reactor tubes
U OPERATION OPERATION Heat transfer coefficient
ACTIVATION(i) KINETIC Activation energy of reaction i
PEXP(i) KINETIC Frequency factor of reaction i
PRES HOT or COLD Outlet pressure of the external
heating/cooling stream
TOUT HOT or COLD Outlet temperature of extermal
heating/cooling stream
FLOWEFF OPENPIPE Flow efficiency
FRICTION OPENPIPE Moody friction factor
AROUGH OPENPIPE Absolute roughness
RROUGH OPENPIPE Relative roughness
PDIAM PACKING Particle size diameter
PLENGTH PACKING Cylindrical particle length
SPHERICITY PACKING Sphericity
POROSITY PACKING Void fraction

METHOD SET=setid
The METHOD statement selects the desired thermodynamic method set when two or
more sets appear in the Thermodynamic Data section of input. Refer to Section 10.2 for
Examples
1: Thermal mode operation
React 85 lb-moles of a 4 to 1 mixture of chlorine and propylene vapor to form allyl chloride
in a plug flow reactor having 4 tubes, each 20 feet long, and an inside diameter of 11.94
inches. Assume an inlet pressure of 29.4 psia with a pressure drop of 10 psi, and use the
simple temperature profile given below. The following reaction data apply:
REACTIONS:
1.
2.
ates of CI2 reaction (r1) in lb-moles ft3 at 29.4 psia:
B B B B P P
[
r 1 = 2.1*1011 * e − 27009.6 / RT * [C cl ]* C prop ]
r 2 =1.19 *10 7 * e −6811.98 / RT * [C cl ]* C prop [ ]
Heat of reaction at 179 F:
1. -48000 Btu/lb-mole Cl2 B B
Temperature profile,
reactor inlet:
reactor mid-point:
reactor outlet: 390 F
500 F
800 F
Problem input includes the following COMPONENT, STREAM, and REACTION data:
TITLE
COMPONENT DATA
LIBID 1, CL2 / 2, PRLN / 3, ACL / 4, 12PR / 5, HCL
STREAM DATA

PROP STREAM=1, TEMPERATURE(F)= 390,
PRESSURE(PSIA)= 29.4, RATE= 85, COMPOSITION= 0.2 / 0.8
RXDATA
RXSET ID=RS1
REACTION ID=1
HORX HEAT=-48, REFCOMP=1, REFPHASE=V, &
REFTEMP(F)=179
KPHASE DEFAULT=V
REACTION ID=2
HORX HEAT=-79.2, REFCOMP=1, REFPHASE=V,&
REFTEMP(F)=179
KPHASE DEFAULT=V
The unit operation input data are:
PLUG UID= RX1
FEED 1
PRODUCT V= V1
OPERATION LENGTH(FT)= 20, DIAMETER(INCH)= 11.94, &
THERMAL, DP(PSI)= 10, PHASE=V, TUBES= 4
TPROFILE(FRAC) 0.0, 390 / 0.5, 500 / 1.0, 800
RXSTOIC RXSET=RS1
REACTION 1
KINETIC COMPONENT= 1
REACTION 2
2: Adiabatic Operation
Operate the plug flow reactor of Example 1 as an adiabatic reactor. Note that the
TPROFILE statement is invalid for adiabatic operation.
PLUG UID= RX2
FEED 1
PRODUCT V= V2
OPERATION LENGTH(FT)= 20, DIAMETER(INCH)= 11.94,&
ADIABATIC, DP(PSI)= 10, PHASE= V, TUBES= 4
RXSTOIC RXSET=RS1
REACTION 1
KINETIC COMPONENT=1
REACTION 2
3: Plug Flow With Co-current External Cooling

Modify the reactor in Example 2 to operate as a co-currently cooled reactor. The cooling
stream is the same as the reactor feed stream, except it is at a storage temperature of 80
F. The effective heat transfer coefficient (U-value) is 0.5 Btu/ft2-hr-F.

STREAM DATA
PROP STREAM= 1, TEMPERATURE(F)= 390, &
PRESSURE(PSIA)= 29.4, RATE= 85, COMPOSITION= 0.2/0.8
PROP STREAM= COOL, TEMPERATURE(F)= 80, &
PRESSURE(PSIA)= 29.4, RATE= 85, COMPOSITION= 0.2/0.8

PLUG UID= RX3
FEED 1
PRODUCT V= V3
OPERATION LENGTH(FT)= 20, DIAMETER(INCH)= 11.94, &
COCURRENT, DP (PSI)= 10, PHASE= V, TUBES= 4, U= 0.5
COLD FEED= COOL, V= CL1
RXSTOIC RXSET = 1
REACTION 1
REACTION 2


14.5 – CSTR
U
Keyword Summary
CSTR UID=uid, {NAME=text}


or
or

RXSTOIC RXSET=setid

REACTION rxid
KPHASE DEFAULT=L or V, {COMPONENT = i,phase/

j,phase/...}
KORDER i, expo /...
Each KINETIC, KPHASE and KORDER statement must appear immediately following the

OPERATION PHASE= L or V or BOIL,U U
VOLUME(unit)=value or VMAX(unit)=value,
DP(unit)= 0.0 or PRESSURE(unit)=value,
{TEMPERATURE(unit )=value}
ISOTHERMAL ,
U U
or
ADIABATIC and DUTY(unit)= 0.0,
TMAX(K)= 3000, TMIN(K)= 1.0

Chapter 14.5 CSTR 601

RXCALC {VAPOR=CONCENTRATION or U U
PARTIALPRESSURE or FUGACITY},
{LIQUID= CONCENTRATION or FUGACITY or
U U
ACTIVITY}
U U
PROCEDURE) =id}
NONVOLATILE CHARGE (M or W) = i, value { /j, value ...} or
U U
FRACTION (M or W) = i, value { /j, value ...}

PARAMETER BTRIAL = 3, DERIV =0.01,
VESTIMATE (unit) = value, TESTIMATE (unit) =value
FESTIMATE i, value {/j, value ...}
TOLERANCE TEMP (F) = 0.1, COMP = 1.0E-5, ENTH = 1.0E-4

PRINT PATH

DEFINE PDATA(elno) AS value
or
or
User-Added Kinetics Data (optional)

DATA ivalue1, {ivalue2, ...},
B B B B

B B B B
SUPPLEMENT elno, value, {value, ... /...}

or
Valid <param> entries are listed in Table 14.5-5

METHOD SET=setid
General Information
The CSTR module simulates a continuously fed, stirred tank reactor. It assumes that the
stirring results in perfect mixing. The module may operate in adiabatic mode with or
without heat duty specified, or in (the default) isothermal mode at a specified temperature
or at the feed temperature, or in the constant volume operation for the boiling pot model.
This module calculates conversions for simultaneous reactions. Reaction rates are
expressed either with a power law model or through the use of customized kinetic reaction
models provided as User-added Subroutines or In-Line Procedures. See Section 10.7 for
a discussion on In-Line Procedures. Also refer to the PRO/II Data Transfer User-added
Subroutines User’s Guide for further information about installing user-supplied
subroutines.
Input Description
CSTR UID=uid, {NAME=text}
The CSTR statement is required as the first statement of each reactor module. All entries
are general to all unit operations and are described in Section 10.2.

or
or
One FEED and one PRODUCT statement are required by each CSTR module. All entries
on both statements are general to all unit operations. Refer to Section 10.2 for
VLLE Calculations
The CSTR does not support rigorous modeling of two liquid phases. VLLE
thermodynamics do not apply to this module.
Solids Handling
The CSTR does not support solid phase calculations.

use only one reaction set.
RXSTOIC RXSET=setid

Each reaction is specified by a REACTION statement followed immediately by a KINETIC
statement. Both statements are required to specify a reaction.
REACTION rxid
reaction. It supplies the ID of the reaction. The stoichiometry, heat of reaction data, and
kinetics data entered for the reaction in the reaction data section will be available to the
reactor.
The KINETIC statement is optional and defines the base component, preexponential
(frequency) factor, activation energy, and temperature exponent for each reaction. The
default power law rate expression is shown in Table 10.8-1.
COMPONENT This entry identifies the base component used in the reaction
conversion report. The component must be involved in the
reaction as a reactant (not a product). Its default is the base
component of heat of reaction in the reaction data section.
The kinetic parameters, PEXP, ACTIVATION, and TEXPONENT, if input on the
KINETIC statement, are used to overwrite values of these parameters previously
input in the reaction data section. If no kinetic data set was entered for the
reaction in the reaction data section, then the defaults given below are used.
PEXP This is the preexponential (frequency) factor for the rate
expression of the power law kinetics model. The default value
is PEXP=1.0 with all units defaulted to the units determined
by the DIMENSION statement in the General Data category.

specific enthalpy units per mole. The default value is zero.
The available qualifiers are listed in the Specific Enthalpy
class of dimensional units. Please refer to the Specific
Enthalpy class of dimensions in Table 4.2 for a complete list
of available dimesnions. If missing, the specific enthalpy
defaulted or supplied in the reaction data section is used.
TEXPONENT The temperature exponential factor in the rate equation. The
default value of TEXPONENT is zero.
KPHASE This entry specifies the component reaction phase defined in
the reaction rate expression. Currently it is only accessed by
the boiling pot reactor (PHASE=BOIL).
DEFAULT This entry specifies the default reaction
phase for the reacting component. The default is
liquid phase.
COMPONENT This entry specifies the reaction phase of
each reacting component defined in the reaction
rate expression. For reactants not specified here, they
are defaulted to the reaction phase determined by the
DEFAULT statement.
KORDER i, expo/...
Right after KPHASE paragraph, add the KORDER paragraph just like that for the plug
reactor in page 94-6.

OPERATION PHASE= L or V or BOIL,
U U
VOLUME(unit)=value or VMAX(unit)=value,
DP(unit)= 0.0 or PRESSURE(unit)=value,
{TEMPERATURE(unit )=value}
ISOTHERMAL ,
U U
or
ADIABATIC and DUTY(unit)= 0.0,
TMAX(K)= 3000, TMIN(K)= 1.0
The OPERATION statement is required to define the VOLUME of the reactor vessel. All
other entries are optional. Input requirements are listed in Table 14.5-1.
PHASE This optional entry specifies the reactor type, where L =

Liquid, V = Vapor, and BOIL = Boiling Pot. The default is
liquid.
VOLUME This entry specifies the volume of the reacting phase. For the
vapor and liquid models, VOLUME is assumed to be the

same as the reactor volume and is required. For the boiling
pot model, the entry is optional and refers to the liquid phase
3
volume only. The units default to ft for ENGLISH or m3 for
P P
METRIC or SI.
DP DP denotes the pressure drop at the entrance to the reactor
or below the pressure of the combined feed. Alternatively,
PRESSURE PRESSURE directly specifies the reactor pressure. The
reactor always operates at constant pressure. If both
PRESSURE and DP are omitted, the reactor operates at the
pressure of the combined feed, and DP = 0.0.
VMAX This optional entry defines the maximum reaction (liquid)
phase volume for the boiling pot model to be used in
calculating the reaction phase volume. The default is two
times the estimated volume (VEST) or 100 m3 if no estimated
volume is given. Default dimensions are ft3 for ENGLISH and
m3 for METRIC or SI.
Table 14.5-1
OPERATION Statement Input Requirements
Mode of Operation
VAPOR or LIQUID BOILING POT
KEYWORD ISO ADIA ISO ADIA VOLUME
PHASE required required required required required
DP optional optional optional optional optional
PRESSURE optional optional optional optional optional
VOLUME required required — — required
ISOTHERMAL required — required — —
ADIABATIC — required — required —
TEMPERATURE optional optional optional optional —
DUTY — optional — optional —
TMIN — optional — optional optional
TMAX — optional — optional optional
VMAX — — optional optional —
ISOTHERMAL Presence of the ISOTHERMAL keyword indicates the default

isothermal mode of operation. In this mode, the reactor

operates at a fixed temperature either specified by the
TEMPERATURE entry or by default, at the temperature of
the combined feed.
or
ADIABATIC The ADIABATIC keyword selects the adiabatic mode of
operation. This option allows use of the DUTY entry to
specify the addition or removal of heat. TEMPERATURE,
TMAX, and TMIN are optional entries for the adiabatic mode
of operation.
TEMPERATURE The TEMPERATURE entry specifies the reactor temperature
for isothermal (default) mode of operation, and estimate of
reactor temperature for adiabatic mode of temperature. If
omitted, the reactor temperature (for isothermal mode) or
temperature estimate (for adiabatic mode) default to the
combined feed temperature.
or In ADIABATIC mode only, this entry specifies the heat duty in
DUTY millions of energy units per time unit. A negative value
indicates heat removal. The default is zero duty.
TMAX The TMAX entry defines the maximum allowable temperature
for the reactor. It is optional for all models. For the liquid or
vapor models, it is set to 3000 K. For the boiling pot reactor,
it will be estimated internally. The maximum allowed
temperature is 3000 K.
TMIN The TMIN entry defines the minimum allowed temperature
for the reactor. It is optional for all models. For the liquid or
vapor models, it is set to 1 K. For the boiling pot reactor, it
will be estimated internally. The minimum allowed
temperature is 1 K.

RXCALC {VAPOR=CONCENTRATION or
U U
PARTIALPRESSURE or FUGACITY},
{LIQUID= CONCENTRATION or FUGACITY or
U U
ACTIVITY}
U U
PROCEDURE) =id}
The RXCALC statement and all entries on it are optional. Options allow declaring the
activity basis. Other entries identify kinetic models supplied by the user as In-Line
procedures or as User-Added Subroutines.
VAPOR This entry specify the vapor phase activity basis for the reaction
rate calculation. The allowed options are molar concentration,

partial pressure or fugacity.
LIQUID This entry specifies the liquid phase activity basis for the reaction
rate calculation. The allowed options are molar concentration,
fugacity or activity.
KINETICS This entry instructs the program to calculate rates of reaction
using either the default power law kinetics or a user-supplied
procedure. If this entry is omitted, the reaction rates are
computed by default power-law kinetics in the form of the
Arrhenius equation shown in Table 10.8-1 of Section 10.8. Refer
to Section 10.7 for a description of In-Line Procedures, and to
the PRO/II Data Transfer and User-added Subroutines User’s
Guide for instructions to create and install User-Added
Subroutines.
POWERLAW
or This keyword specifies the default power law
kinetics described in Table 10.8-1, for the PLUGLFOW
reactor. The “id” entry is invalid with this option.
SUBROUTINE
or This option directs the CSTR module to use a
User-added Subroutine written in FORTRAN to
perform reaction rate calculations. The “id” entry
described below supplies the subroutine identifier.
PROCEDUREThis option directs the CSTR module to use
a user-supplied In-Line Procedure to perform reaction
rate calculations. The “id” entry described below supplies
the name of the procedure.
When selecting the KINETICS (SUBROUTINE or PROCEDURE)
option, the user must supply an algorithm for calculating reaction
rates. In this case, the ID entry must declare either the name of
the In-Line kinetics procedure or an identifier for the installed
FORTRAN subroutine. The name of the In-Line Procedure is
limited to eight characters. Subroutines are identified by
arguments “U1”, “U2”, “U3”, “U4”, or “U5”, corresponding to
User-Added Subroutines “USKIN1” through “USKIN5”,
respectively.
NONVOLATILE CHARGE (M or W) = i, value { /i, value ...} or

U U
FRACTION (M or W) = i, value { /i, value ...}

U U
The NONVOLATILE statement is optional and available only to

the boiling pot model to specify nonvolatile components.
Nonvolatiles can be VL components and are specified as a fixed
quantity of a fraction of the vessel liquid phase. These
components also must not be in the feed stream. Material loss in
the vapor product is possible and will be calculated.

CHARGE The CHARGE entry defines the amount of nonvolatile catalyst in
the reactor in mole or weight units. The default is molal units.
FRACTION The FRACTION entry defines the mole or weight fraction of the
nonvolatile components in the reaction liquid phase. The default
unit is mole fraction.
PARAMETER BTRIAL = value, DERIV = value,
VESTI(unit) = value, TESTI(unit) = value
The PARAMETER statement enables interaction and step control for the boiling pot
model.
BTRIAL The number of trials done with the BROYDEN approximation
method before updating the Jacobian matrix. The default value
is 3.
DERIV This entry specifies the derivative step size multipliers in each
iteration. The default value is 0.01 and the allowable range is
0.0001 to 0.1.
VESTIMATE The VEST entry defines the initial volume estimate for the
boiling pot reactor model for the isothermal or adiabatic modes.
This entry is optional and will be estimated by the program if no
entry is given. The units default to ft3 for ENGLISH or m3 for
METRIC or SI.
TESTIMATE The TEST entry defines the initial temperature estimate for the
boiling pot reactor with fixed volume or with adiabatic
calculations.
FESTIMATE i, value {/j, value ...}
This statement supplies estimates for the molar flow rates of individual components in the
product stream. In some cases, providing estimates may expedite calculational
convergence. This statement is optional.
i,j Component numbers.

Value This value is the estimated molar flow rate in the
product stream of the component indicated by the “cno”
entry. If missing, no estimate is assumed.
TOLERANCE TEMP(value) = value, COMP = value, ENTH = value
The optional TOLERANCE statement allows specification of criteria of solution for the
boiling pot reactor mode.
TEMP This entry specifies the temperature tolerance between the calculated
reactor temperature and the calculated product dew point. The
default is 0.1°F and the allowable range is 0.01 to 1.0°F.
COMP This entry specifies the component mole fraction tolerance for the

overall mass balance. The default is 1.0 E-5. The allowable range is
1.0 E-6 to 1.0 E-3. If the reactor model does not converge in 40
interations, this value will be relaxed by a factor of 10.
ENTH This entry specifies the relative enthalpy error. The default value is
1.0 E-4 and the allowable range is 1.0 E-6 to 0.01.

PRINT PATH
PATH Presence of this keyword prints a trace of the reaction
path used in calculating the heat of reaction. See the
PRO/II Reference Manual for a more detailed
description.

DEFINE PDATA(elno) AS value
or
or
The PDATA and DEFINE statements allow data transfer between the CSTR module and a
user-supplied In-Line Procedure that performs reaction kinetics calculations. These
statements are allowed only when using the KINETICS= PROCEDURE option on the
RXCALC statement. See Section 10.5 for a description of the DEFINE statement. Also
refer to Section 10.7 for information about defining In-Line Procedures.
User-Added Kinetics Subroutine or In-Line Procedure Data

(optional)
DATA ivalue1, {ivalue2, ...},
B B B B

B B B B
SUPPLEMENT elno, value, {value, ... /...}

The IDATA, RDATA, and SUPPLEMENT statements allows data transfer between the
CSTR module and a User-added Subroutine or In-Line Procedure that performs reaction
kinetics calculations. These statements are allowed only when using the
KINETICS=SUBROUTINE or KINETICS=PROCEDURE option on the RXCALC
statement. Refer to the PRO/II User-added Subroutines User’s Manual for information
about creating, installing, and accessing User-added Subroutines.

or

DEFINE statements allow calculation-time definition of CSTR parameters by accessing
data stored elsewhere in the flowsheet. Valid <param> entries are listed in Table 14.5-2.
Multiple DEFINE statements are allowed. Refer to Section 10.5 for a description of the
DEFINE statement.

METHOD SET=setid
The METHOD statement selects the desired thermodynamic method set when two or
more sets appear in the Thermodynamic Data Category of input. Refer to Section 10.2 for
Table 14.5-2
Define Statement <param> Entries
Keyword Statement Description
ACTIVATION( i ) KINETIC Activation energy of reaction i
DP OPERATION Pressure drop below combined feed to
the reactor inlet
DUTY OPERATION Duty of an adiabatic reactor
PEXP( i ) KINETIC Frequency factor of reaction i
PRESSURE OPERATION pressure of the reactor
TEMPERATURE OPERATION Isothermal reactor temperature
VOLUME OPERATION Total volume of reactor vessel
TMAX OPERATION Maximum allowable reactor
temperature
TMIN OPERATION Minimum allowable reactor temperature
VMAX OPERATION Maximum reaction phase (liquid)
volume for boiling pot model
RDATA(i) RDATA Real data for user-added kinetics
Examples
1: Adiabatic operation
React 85 lb-moles of a 4 to 1 mixture of chlorine and propylene vapor to form allyl chloride
in an adiabatic CSTR having a volume of 83 cubic feet. Assume the reactor operates at
the feed pressure of 29.4 psia with a maximum operating temperature of 1200 F. The

following reaction data apply.
REACTIONS:
1.
2.
Rates of CI2 reaction (r1) in lb-moles ft3 at 29.4 psia:
B B B B P P
[
r1 = 2.1*1011 * e − 27009.6 / RT * [C cl ]* C prop ]
r2 =1.19 *10 7 * e −6811.98 / RT * [C cl ]* C prop [ ]
Heat of reaction at 179 F:
Problem input includes the following COMPONENT, STREAM, and REACTION data:
TITLE
COMPONENT DATA
LIBID 1, CL2 / 2, PRLN / 3, ACL / 4, 12PR / 5, HCL
STREAM DATA
PROP STREAM= 1, TEMPERATURE(F)= 390, &
PRESSURE(PSIA)= 29.4, RATE= 85, COMPOSITION= 0.2 / 0.8
RXDATA
RXSET ID=RS1
REACTION ID=1
HORX HEAT=-48, REFCOMP=1, REFPHASE=V, REFTEMP(F)=179
KPHASE DEFAULT=V
REACTION ID=2
HORX HEAT=-79.2, REFCOMP=1, REFPHASE=V, REFTEMP(F)=179
KPHASE DEFAULT=V
CSTR UID= CST1
FEED 1
PRODUCT V= V1
OPER VOLUME(CUFT)= 83, ADIABATIC, PHASE= V, &

TMAX(F)=1200
RXSTOIC RXSET= RS1
REACTION 1
REACTION 2
2: Isothermal operation
Hydrolyze acetic anhydride in two isothermal stirred tank reactors operating at the feed
temperature of 15 C. The volume of the first reactor is 3.84 m3, and the volume of the
second is 30 m3. The feed to the first reactor consists of 6 m3 per minute of acetic
anhydride and water in a volumetric ratio of 1:7.5. The reaction is:
For this dilute solution, assume the rate of reaction of acetic anhydride is:
3
reaction rate, kg-moles/m -min = 9.6 * C aa
P P B B
where Caa = acetic anhydride concentration in kg-moles/m3.

B B
Problem input includes the following data:

TITLE
DIMENSION METRIC, TIME= MIN
COMPONENT DATA
LIBID 1, ACETANHD / 2, WATER / 3, HAC
STREAM DATA
PROP STREAM=F1, TEMPERATURE=15, PRESSURE(ATM)=2, &
RATE(LV)=6, COMPOSITION(LV)= 1, 1 / 2, 7.5, NOCHECK
RXDATA
RXSET UID=1
REACTION ID=RX1
KINETIC PEXP=9.6, ACTIVATION=0.0
KPHASE DEFAULT=L
KINETIC 1,1/2,0
The unit operation input data appears below. Note reactant 2 has a power law exponent of
zero, resulting in a concentration term of unity for water. Also, the reaction activation
energy is zero. Heat of reaction is computed using heat of formation data from the
Component Library.
CSTR UID= RX2A, NAME= TANK2A

FEED F1
PRODUCT L= L2A
OPERATION VOLUME= 3.84
RXSTOIC RXSET =1

REACTION RX1
$
CSTR UID= RX2B, NAME=CST-RX-2B
FEED V2A
PRODUCT L= L2B
OPERATION VOLUME= 30
RXSTOIC RXSET = 1
REACTION RX1
3: Boiling pot isothermal operation:

Reactants A and B are fed into the liquid phase of the reactor to produce vapor phase
product C. The reaction is a catalytic reversible reaction, A + B = C. The reactor is
operated at isothermal condition and the estimated maximum liquid phase volume in the
reactor is 200 volume unit.
RXDATA
RXSET ID=RD1
REACTION ID=1
REACTION ID=2
STOICHIOMETRY 3,-1/5,0/1,1/2,1
$
UNIT OPERATION
CSTR UID=RX1, NAME=BPCSTR1

FEED S1
PRODUCT V=RV1
OPERATION PHASE=BOIL, TEMPERATURE=180, PRESSURE=1,&
VMAX=200
RXCALC CONC
RXSTOIC RXSET=RD1
$ A + B (+ CATALYST) →
REACTION 1
KINETIC COMPONENT=1, PEXP=1.0E08, ACTI=8.0
KINETIC 1,1/2,1/5,1
$ C (+ CATALYST) →A + B
REACTION 2
KINETIC COMPONENT=3, PEXP=3.0E14, ACTI=24.0
KINETIC 3,1/5,1
NONVOLATILE FRAC(M)=5,0.72
4 Boiling pot operation with known liquid phase volume

The reaction in the following example is the chlorination of ethylene to produce EDC. The
liquid phase volume is constant at 100 volume unit, while the reaction temperature is
unknown. The estimated TMAX and TMIN (optional) are given here for the calculation of
the reaction temperature and results.

RXDATA
RXSET UID=RS1
REACTION ID=RX1
$
UNIT OPERATION
CSTR UID=RX11, NAME= BPCSTR2
FEED F1
PRODUCT V=P1
OPERATION PHASE=BOIL, PRESSURE=1.0, VOLUME=100.0, &
TMAX=150, TMIN=20
RXSTOIC RXSET=RS1
$
$ C2H4 + Cl2 → C2H4C12
REACTION RX1
KINETIC COMPONENT=1, PEXP=5.0E-02, ACTI=-12.0

This is intentionally left blank

14.6 – POLYMER
U
ELECTROLYTE FUEL
CELL
Keyword summary:
Unit identification (required)
FUELCELL UID=uid, {NAME=text}
Feed streams (required)

FEED sid for ANODE feed, sid for CATHODE feed
Product streams (required)

PRODUCT sid for ANODE product, sid for CATHODE product
Operating parameters
Steam Temperature is the temperature of the humidifier steam
Steam Pressure is the pressure of the humidifier steam
Liquid Mole Fraction is the liquid mole fraction of the humidifier steam, no entry for pure
gas or pure liquid
Operating Temperature is the cell temperature
Stoichiometric Coefficient is optional. If supplied, it sets the rate of O2 in the Anode feed
B B
relative to the rate of H2 in the Cathode feed.

B B
Percent Relative Humidity of Anode Product is required

Percent Relative Humidity of Cathode Product is required
Percent H2 Turnover is the relative amount of the H2 oxidized. It is required.
B B
Voltage is the cell operating voltage

Membrane Area is the area of the membrane, if given the Voltage will be calculated. If not
given the area will be calculated from the voltage.
Coefficient b is from the equation in the Terminology section
Coefficient R is from the equation in the Terminology section
U0 is from the equation in the Terminology section
B B
Chapter 14.6 POLYMER ELECTROLYTE FUEL CELL 617

General information
Polymer Electrolyte Fuel Cell Unit Operation simulates the electric power generation in a
Polymer Electrolyte Fuel Cell. The Polymer Electrolyte Fuel Cell Unit Operation contains
two parts namely
1. Membrane Electrolyte Assembly (MEA)
2. Feed Gas pretreatment unit operations.
The MEA consists of Anode and Cathode sides of the membrane. The Anode side feed
gas pretreatment has a humidifier and a one-sided heat exchanger for temperature control
and the Cathode side pretreatment has a compressor, a humidifier, and a one-sided heat
exchanger. The process includes pretreatment of the fuel gas on the Anode side and the
oxidant gas on the Cathode side. The required gas stream inputs for the MEA are
temperature, pressure, and relative humidity. If the gases are too dry, the membrane will
stop functioning. For Polymer Electrolyte Fuel Cell Unit Operation, the user must supply
the relative humidity of both product streams.
The Anode feed (H2) and the Cathode feed (O2) are external feeds. The Anode and
Cathode humidifier water streams are calculated in the below mentioned model.
The MEA is modeled by the consumption of hydrogen in this reaction:
H2 + ½ O2 H2O
The performance of the MEA is predicted from its Voltage – Current Density Characteristic
equation.See the Terminology section for the equation details.
Terminology
The Voltage – Current Density Characteristic Equation is:
U = U0 – b*J – R*ln(J)
B B
U is the Voltage in mV
U0 is the voltage at current density = zero
B B
Coefficient b is mV /(mA/cm2)
J is the current density in mA/cm2
Coefficient R is mV/ln(mA/cm2)
J is the current density in mA/cm2
Coefficient R is mV/ln(mA/cm2)
In the Anode side, the model calculates the stream data for the feed, the Humidified feed,
the Temperature Controlled feed, and the product. On the Cathode side, the model
calculates the stream data for the feed, the Compressed feed, the Humidified feed, the
Temperature Controlled feed, and the product. Results also include a detailed Reaction
Energy report and a detailed heat balance with efficiencies and electric power generation.

The Polymer Electrolyte Fuel Cell Unit Operation computes electric current, efficiency, the
duty and heat efficiency. If the voltage is given, the required membrane area will be
calculated. If the membrane area is given, the voltage will be calculated. Other
calculations predict the conditions of the feeds and products on the Anode and Cathode
sides of the MEA.
Chapter 14.6 POLYMER ELECTROLYTE FUEL CELL 619

U

15 – SOLIDS
Introduction
PRO/II offers eight unit operation models capable of solving a wide variety of problems
dealing with solid-liquid separation and equilibrium. Solids unit operation models in PRO/II
are different from traditional unit models because they are more dependent on physical
configuration.
The first six solids unit operation models are capable of both design and rating modes. In
rating mode, a unit operation model is provided with the physical configuration of the unit.
The resulting calculation provides performance results. In design mode, a unit operation
model is provided with desired results. The model will then calculate the physical
configuration that is required.
The seventh unit operation - the MELTER/FREEEZER - allows for an arbitrary phase
change for any component or group of components based on user selection. Heat balance
is automatically taken into account.
The eighth unit operation - the SOLIDS SEPARATOR - allows you to separate a specified
fraction of a solid phase from a mixture of feed streams.
The PRO/II component data structure and thermodynamic capabilities provide an
advanced platform for modeling complex phase transformations. The solids structure is
capable of handling both molecular-weight solids and non-molecular-weight solids. True
solids equilibrium capability is designed into PRO/II.
Each component that may exist in the solid phase must be a solid forming component as
designated in the PRO/II component library or on the PHASE statement in the Component
Data category. Section 1.2, Component Definition, of the SIMSCI Component and
Thermodynamic Input Manual provides more information on the PHASE statement and its
input requirements.
Solid component calculations often require pure component property data not normally
provided for other components, including NMP (normal melting point), HFUSION (heat of
fusion), CP (heat capacity) and DENSITY(S) (solid density). These data are required to
define liquid-solid or vapor-liquid-solid components capable of exhibiting a phase
transition between the solid and liquid phases in the Dissolver and Crystallizer. Refer to
Section 1.7, Solid Component Properties, of the SIMSCI Component and Thermodynamic
Input Manual for a complete listing of pure component data required for various PRO/II
solids features. Section 1.8, Component Properties, of the same guide, provides more
information on entering these solid component properties.
Table 15-1 gives the required Thermodynamic Data category data when a solids handling
unit operation is given.
Chapter 15 SOLIDS 621

Table 15-1
Thermodynamic Data Requirements for Solids Unit Operations
UNIT OPERATION LIQUID SURFACE DIFFUSIVITY SLE
VISCOSIY TENSION K-VALUES
SOLIDS DRYER no no no no
ROTARY DRUM FILTER yes yes no no
FILTERING CENTRIFUGE yes yes no no
COUNTERCURRENT
DECANTER no no no no
DISSOLVER conditional1P P no conditional yes
CRYSTALLIZER no no no yes
MELTER/FREEZER no no no yes
1 Required when mass transfer kinetics are not specified.
For example,
METHOD ..., KVALUE(SLE)=DATA, DIFFUSIVITY=DATA, &
TRANS=PETRO
selects the user-supplied solubility and diffusivity data and petroleum based transport
properties.
METHOD ..., KVALUE(SLE)=VANTHOFF, DIFFUSIVITY=WILKE, &
TRANS=PURE
selects the van't Hoff predictive solubility method, the Wilke-Chang diffusivity method, and
pure component based transport properties. See Section 2.7, Solid Solubility Methods, of
the SIMSCI Component and Thermodynamic Input Manual for more input considerations.

15.1 – SOLIDS DRYER
U
Keyword Summary
DRYER
T UID=uid, {NAME=text} T T T

FEED
T sid, {sid, ...},
T
PROD
T OVHD=sid, BTMS=sid T T T
Defining Operating Conditions (required)

Two specifications on the OPERATION statement:
OPERATION
T DP(unit)=0.0 or PRES(unit)=value, TEMP(unit)=value T T T T T
or
TDP(unit)=0.0 or PRES(unit)=value,
T T T
DUTY(unit)=value, {TEST=value}
T T T T
or
TEMP(unit)=value, DUTY(unit)=value,
T T T T
{PEST(unit)=value}
T T
Using a DESIGN specification:

OPERATION
T DP(unit)=0.0 or PRES(unit)=value, TEMP(unit)=value
T T T T T
or
TEMP (unit)=value, {PEST(unit)=value}
and
DESIGN
T VFRACTION(WT or M)=value, PHASE= T or L, T T T U U
or
RATE(WT or M,unit)=value, OVHD or BTMS,
T T U U T T T T
PHASE=T or L
T T U U
or
MOISTURE(WT or M)=value, BTMS,
T T U U T T
or
FRACTION(WT or M)=value and COMPONENT=i, j ,
T T U U T T
OVHD or BTMS, PHASE=L,

T T T T T T
or PPM(WT or M)=value and COMPONENT=i, j ,

T T U U T T
T OVHD or BTMS, PHASE=L, T T T T T
{RTOL=0.01 or ATOL=value}
T T T T

Chapter 15.1 SOLIDS DRYER 623

Alternative Definition of DRYER Parameters (optional)
DEFINE <param> AS <unit type>=uid, <param>, {<op>,<ref>}
T T T T
or
DEFINE <param> AS STREAM=sid, <prop>, {<op>,<ref>}
T T T T

METHOD SET=setid
T T
General Information
The DRYER is used to decrease the liquid content of a stream containing solids.
Generally, the liquid being removed is water. The DRYER may be operated at a fixed
temperature and pressure or at a fixed heat duty requirement. Alternatively, the pressure
or temperature may be fixed and a design specification placed on one of the product
streams, generally, the dried solid stream.
Consult the PRO/II Reference Manual for a description of the DRYER computational
algorithm.
Input Description
DRYER UID=uid, {NAME=text}
T T T T
This must be the first statement of a DRYER unit. Section 10.2, Unit Operation Input,
describes all optional entries.

FEED sid, {sid, ...},
T T
PROD
T OVHD=sid, BTMS=sid
T T T
The DRYER always has two products. The overhead product consists of the volatile
components removed from the feed(s) and is in the vapor phase. The bottom stream is
the dried stream, which is a mixed phase stream containing liquids and solids.
OVHD The vapor product from the DRYER.
BTMS The dry liquid/solid product from the DRYER.

The DRYER is an extension to the FLASH unit operation and as such requires that two
degrees of freedom (one of which must be the temperature or the pressure) be specified.
They may both be specified using the OPERATION statement, or one may be specified
using the OPERATION statement and one using the DESIGN statement.
If the OPERATION statement is omitted, the pressure drop defaults to 0.0 and a DESIGN
specification must be provided.
Specifying two degrees of freedom using the OPERATION statement:

OPERATION
T T T T T
or
DP(unit)=0.0 or PRES(unit)=value,
T T T T
DUTY(unit)=value, {TEST=value}
T T T T
or
TEMP(unit)=value, DUTY(unit)=value, {PEST(unit)=value}
T T T T T T
PRES Used to fix the operating pressure of the DRYER. The default is
or a pressure drop of 0.0.
DP
TEMP
Used to fix the operating temperature of the DRYER.
DUTY
Used to fix the duty of the DRYER in millions of energy units per
time unit. Positive value indicates that the heat is added.
TEST
Used to provide an estimate of the operating temperature of the
DRYER when PRESSURE is specified. This is optional.
PEST
Used to provide an estimate of the operating pressure of the
DRYER when the TEMPERATURE is specified. This is
optional.
Using a DESIGN specification:
OPERATION
T T T T T
or
TEMP (unit)=value, {PEST(unit)=value}
and
DESIGN
T VFRACTION(WT or M)=value, PHASE= T or L, T T T U U
or
RATE(WT or M,unit)=value, OVHD or BTMS,
T T U U T T T T
PHASE=T or L
T T U U
or
MOISTURE(WT or M)=value, BTMS,
T T U U T T
or
FRACTION(WT or M)=value and COMPONENT=i, j ,
T T U U T T
OVHD or BTMS, PHASE=L,

T T T T T T
or PPM(WT or M)=value and COMPONENT=i, j ,

T T U U T T
T OVHD or BTMS, PHASE=L,

T T T T T
{RTOL=0.01 or ATOL=value}
T T T T
When a DESIGN specification is used, the OPERATION statement defines either the
temperature or the pressure, but not both. The OPERATION statement entries are
described above.
Except for the case where the fraction of the feed vaporized (VFRAC) is specified, the
DESIGN specification is made either on the overhead or on the bottom stream, and,
therefore, either the OVHD or the BTMS keyword must be used.

When FRACTION or PPM is selected, the component number(s) for the specified
components must also be given using the COMPONENT entry. COMPONENT is an
optional entry when RATE specifications are used.
The DESIGN statement entries are as follows:
OVHD or One of these keywords must be selected. If the VFRAC

BTMS specification is selected, BTMS is not allowed. If
MOISTURE is selected, OVHD is not allowed. For all other
specifications one of these keywords indicates the stream
to which the specification applies.
PHASE
When BTMS is used with a RATE specification, the default
is the total liquid and solids (PHASE=T) bottom stream
rate. Alternatively, PHASE=L may be selected, in which
case the RATE refers to the liquid portion of the bottom
stream.
Similarly, when a VFRAC specification is used, the default
is the fraction of the total (PHASE=T) feed vaporized.
Alternatively, PHASE=L may be selected, in which case
the VFRAC specification refers to the fraction of the liquid
portion of the feed that is vaporized.
ATOL
The absolute tolerance for the specification.
RTOL
The relative tolerance for the specification. The default is
RTOL=0.01 or 1 percent.
VFRACTION The fraction of the feed vaporized on a weight (WT) basis
or a molar (M) basis. The default is weight. Molar may only
be used if all solids have their molecular weights defined.
The fraction may refer either to the total feed rate
(PHASE=T and default) or to the liquid portion of the feed
(PHASE=L). The BTMS keyword is not allowed with
VFRAC.
RATE
The flowrate of either the OVHD or BTMS stream on a
weight (WT) basis or a molar (M) basis. The default is
weight. Molar may only be used if all solids have their
molecular weights defined. If COMPONENT is also used,
then rate refers to the flowrate of a component or group of
components. When RATE is used with the BTMS keyword,
the rate may refer either to the total BTMS rate (PHASE=T
and default) or to the liquid portion of the BTMS rate
(PHASE=L).
MOISTURE
The moisture content of the BTMS stream on a weight
(WT) basis or a molar (M) basis. The default is weight.

Molar may only be used if all solids have their molecular
weights defined. The definition is:
mass (or moles) of water

Moisture Content =
mass (or moles) of total solids
FRACTION
The fraction of a particular component or group of
components in the OVHD or BTMS stream on a weight
Molar may be used only if all solids have their molecular
weights defined. The COMPONENT entry is also required.
PHASE=T is not allowed with this specification. PHASE=L
must be entered.
PPM
The parts per million of a particular component or group of
components in the OVHD or BTMS stream on a weight
Molar may be used only if all solids have their molecular
weights defined. The COMPONENT entry is also required.
PHASE=T is not allowed with this specification. PHASE=L
must be entered.
COMPONENT=i,j The component number range to be used with the DESIGN

specification. This is required only for FRACTION and PPM
specifications and is optional for RATE specifications. All
components in the range 'i' through 'j' are included in the
specification. If not specified, 'j' defaults to 'i'.
Alternative Definition of DRYER Parameters (optional)

DEFINE
T T <param> AS <unit type>=uid, <param>, {<op>,<ref>}
T T
or
DEFINE
T T <param> AS STREAM=sid, <prop>, {<op>,<ref>}
T T
DRYER parameters TEMP, PRES, DUTY, and DP may be defined relative to any
available stream<reference>property (Table 10.2-2) or unit operation <reference>
parameters (Table 10.2-3). The DRYER supports a maximum of two DEFINE statements.
Examples are given at the end of this section. Refer to Section 10.5 for a discussion of the
DEFINE construct.

METHOD
T SET=setid
T
operations.

Examples
1: Water Evaporator
Stream F101 is sent to the DRYER and separated into an evaporated vapor stream (V1)
and a dried solids product, SL1. The DRYER is operated at 1 bar. The temperature and
duty are calculated to achieve a 5 weight percent water content for the mixed phase (solid
and liquid) product stream SL1.
DRYER UID=E1, NAME=EVAP-101-1
T T T T
FEED F101
T T
PROD OVHD=V1, BTMS=SL1

T T T T
OPERATION PRES(BAR)=1.0
T T
DESIGN BTMS, MOISTURE(W)=0.05

T T
2: Desiccator
Stream FX is dried to produce a dry solid stream SX and a vapor stream VX. Component
4 is controlled to 500 parts per million by weight in the solid stream by the CONTROLLER
CON1. The unit has a pressure drop of 40 mmHg and its temperature is estimated at 342
degrees F. Note that the requirement PHASE=L be given on the DESIGN statement.
T T T T
FEED FX
T T
PROD OVHD=VX, BTMS=SX

T T T T
OPERATION DP(MMHG)=40.0, TEMP=342

T T T T
CONTROLLER UID=CON1
T T
SPEC STREAM=SX, RATE(W), COMP=4, PHASE=L, RATIO, &

T T T T T T T T T T
STREAM=SX, RATE(W), PHASE=S, VALVE=500.E-6

T T T T T T T T
VARY DRYER=EZ, TEMP, EST2=342.1, STEPSIZE=0.01

T T T T T T
CPARAMETER ITER=40
T T
3: Water Evaporator using DEFINEs

This example shows a feed stream F101 being raised in temperature by 35 degrees
Celsius. The pressure is defined as being equal to the pressure on tray 13 in column C1.
The duty is calculated. Since both the temperature and pressure are fixed, a DESIGN
specification cannot be made. Stream SL1 is the dried solids stream.
T T T T
FEED F101
T T
PROD OVHD=V3, BTMS=SL3

T T T T
DEFINE PRES AS COLUMN=C1,TRAY=13, PRES

T T T T
DEFINE TEMP(C) AS STREAM=F101, TEMP(C), PLUS 3

T T T T T T T T

15.2 – ROTARY DRUM
U
FILTER
Keyword Summary
RFILTER UID=uid, {NAME=text}

PRODUCT FILTRATE=sid, CAKE=sid
Selecting DESIGN or RATING Mode (required)

RATING DIAMETER(unit)=value, WIDTH(unit)=value
or
DESIGN DPMAX(unit)=value, WDRATIO=2.0

OPERATION ANGLE(RAD or DEG or GRAD)=2.0945 or
U U
PSUBMERGED=value, RPM=value
Defining Properties of the Cake (optional)

CAKEPROPS POROSITY=0.45,
PSOLIDS=80
or
SPHERICITY=0.75 and DPARTICLE(unit)=value,
FRES(unit)=0.2E+07,
or
SRES(unit)=value and CFACTOR=0.0

or

METHOD SET=setid

Chapter 15.2 ROTARY DRUM FILTER 629

General Information
The RFILTER is used to decrease the liquid content of a stream containing solids. The
model assumes a rotating, horizontal drum partially submerged in a trough of slurry
mixture which is to be filtered. The RFILTER may be operated in design or rating mode. In
design mode the diameter and width of the drum are determined to meet a given
maximum pressure drop. In rating mode, the pressure drop is calculated for a given
diameter and width.
Consult the PRO/II Reference Manual for a description of the RFILTER computational
algorithm.
Input Description
RFILTER UID=uid, {NAME=text}
This must be the first statement of a RFILTER unit. Section 10.2, Unit Operation Input,

The RFILTER always has two products. The FILTRATE product consists of the liquid
components removed from the feed(s) and contains no solids. The CAKE stream is a
mixed phase stream containing predominantly solids with some liquids.
FILTRATE The pure liquid product from the RFILTER.
CAKE The solid/liquid product from the RFILTER.

RATING DIAMETER(unit)=value, WIDTH(unit)=value
or
DESIGN DPMAX(unit)=value, WDRATIO=2.0
Either DESIGN or RATING must be selected. In RATING mode, the pressure drop is
calculated. For DESIGN mode, the diameter is calculated. The keyword definitions are as
follows:

DIAMETER For RATING mode, this is the diameter of the filter drum in
course-length dimensions.
WIDTH For RATING mode, this is the width of the filter drum in
DPMAX For DESIGN mode, this is the maximum allowable pressure
drop. If there are multiple feeds the pressure drop is
measured from the lowest of the feed pressures.
WDRATIO For DESIGN mode, this is the desired width to diameter ratio.
The default is 2.0.

OPERATION ANGLE(RAD or DEG or GRAD)=2.0945 or
U U
PSUBMERGED=value, RPM=value
The OPERATION statement is required. The rotational speed must be given. Either the
angle of filtration or the percent the drum is submerged must be defined but these have
default values. The keyword definitions are as follows:
ANGLE The angle of filtration.

or
PSUBMERGED The percent submerged. The angle of filtration is defined as
the angle subtended at the center of the drum by the portion
of the filter that is submerged. The default is 2.0945 radians
(120 degrees). The percent submerged is defined as the
percentage of the filter drum area that is submerged in the
liquid trough and the default is 33.33 percent. The
relationship is:
PSUB = ANGLE * 100.0/(2π)
The angle may be given in radians (RAD), degrees (DEG) or

(GRAD). GRAD is similar to RAD, except that 400 degrees
defines a circle compared to the normal 360 degrees. The
default dimensional qualifier is (RAD).
RPM The rotational speed of the drum in revolutions per minute.
There is no default.

PSOLIDS=80
or
FRES(unit)=0.2E+07,

or
SRES(unit)=value and CFACTOR=0.0
The user is expected to supply cake properties as determined from laboratory
experiments or actual operating unit measurements. If such data is not available, the
model calculates the cake properties based on default values. Therefore, the
CAKEPROPS statement is optional. If default values are used, the reported design
conditions must be used with caution. However, the heat and material balance is
unaffected by the cake properties.
The percentage solids in the cake can be given directly (using PSOLIDS) or calculated
from the sphericity of the particles and the particle diameter. The particle diameter can be
defined directly using the DPARTICLE keyword or by the definition of a particle size
distribution for the feed stream(s).
As an alternative to giving the cake resistance to the filtrate, the user may give the specific
resistance and compressibility of the cake.
Keyword definitions are as follows:
POROSITY The porosity of the cake. The default is 0.45.
PSOLIDS The percentage of solids in the filter cake. The default is 80
percent. If the sphericity and particle diameter are defined, it
is calculated.
SPHERICITY The sphericity of the particles in the cake. This entry is not
required if PSOLIDS is given. It is used in conjunction with
DPARTICLE to calculate PSOLIDS. The default is 0.75.
DPARTICLE The average particle diameter in the cake. If no particle size
distribution is defined for the feed stream, then DPARTICLE
may be given. It is used in conjunction with SPHERICITY to
calculate PSOLIDS and is not required if PSOLIDS is used.
The dimensions of DPARTICLE are fine-length.
FRES The specific cake resistance to the filtrate at the existing
pressure drop. This has dimensions of course-length per
weight. The default is 0.2E+07 m/kg or the equivalent in
other dimensional units. FRES can be calculated from SRES
and CFACTOR, if this is preferable.
SRES The specific cake resistance at unit pressure drop. This has
dimensions course-length per weight. There is no default
value. SRES is used in conjunction with CFACTOR to
calculate FRES. Therefore, it is not required if FRES is
given.
CFACTOR The compressibility factor of the cake. The default is 0.
CFACTOR is used in conjunction with SRES to calculate the
FRES. Therefore, it is not required if FRES is given.

or

RFILTER parameters, DIAMETER, WIDTH, DPMAX, WDRATIO, RPM, ANGLE,
PSUBMERGED, PSOLIDS, POROSITY, FRES, SRES, CFACTOR, SPHERICITY and
DPARTICLE may all be defined relative to any available stream/tray property (Table 10.2-
2) or unit parameter (Table 10.2-3). Examples are given at the end of this section. Refer to
Section 10.5 for a discussion of the DEFINE construct. The RFILTER supports a
maximum of 12 DEFINE statements.
Note that use of a DEFINE statement is equivalent to the direct use of the keyword and
the appropriate rules must be obeyed. For example, if DIAMETER is DEFINEd, then a
RATING statement must be present without DIAMETER entered on it. Under such
circumstances, a DESIGN statement is also not allowed.

METHOD SET=setid
operations.
Examples
1: Filter Drum Design
In this example a rotary drum filter is to be designed. Stream F101 is fed to the RFILTER
and separated into liquid product L101 and a filtered solids product, S101. The RFILTER
is operated at the maximum pressure drop of 2.5 psia and a rotational speed of 1
revolution per minute. The diameter is determined subject to a width/diameter ratio of 1.0.
The various cake properties are specified. The average particle diameter is calculated
from the particle size distribution.
RFILTER UID=D1,NAME=DRUM-102-1
FEED F101
PROD FILTRATE=L101, CAKE=S101
OPERATION RPM=1
DESIGN DPMAX(PSIA)=2.5, WDRATIO=1.0
CAKEPROPS PSOLIDS=95.0, POROSITY=0.4, FRES=1E+10
2: Filter Drum Rating

In this example the pressure drop is calculated based on an input diameter of 10 feet and
drum width of 15 feet. Note that the angle of filtration has been changed to 100 degrees
from the default of 120 degrees. The rotational speed is 1.5 revolutions per minute.

A particle size distribution must have been defined for the feed stream. From this the
average particle size is determined. Using this and the given sphericity, the percentage
solids is calculated. PSOLIDS is not input in this example.
RFILTER UID=D2,NAME=DRUM-102-2
FEED F101
OPERATION RPM=1.5, ANGLE(DEG)=100.0
RATING DIAMETER(FT)=10.0, WIDTH=15.0
CAKEPROPS SPHERICITY=0.7, FRES=2.2E+09, &
POROSITY=0.4
3: Filter Drum using DEFINEs

This example shows a feed stream F101 being filtered to produce a solids-free liquid
filtrate stream L101 and a mixed phase stream S101 which is mainly solid but contains
some liquids. The drum filter is operated in rating mode but the diameter and width of the
drum are defined using a CALCULATOR unit operation elsewhere in the flowsheet.
Likewise, the percentage solids in the cake and the porosity are defined using the
CALCULATOR. In this way, these properties can be calculated at run time subject to the
values of other flowsheet variables. Only the cake resistance is fixed directly in the
RFILTER input.
RFILTER UID=DD1,NAME=DRUM-102-3
FEED F101
OPERATION RPM=1.5
RATING
DEFINE DIAMETER AS CALCULATOR=CA1, RESULT(1)
DEFINE WIDTH AS CALCULATOR=CA1, RESULT(2)
DEFINE PSOLIDS AS CALCULATOR=CA1, RESULT(3)
DEFINE POROSITY AS CALCULATOR=CA1, RESULT(4)
CAKEPROP FRES=2.2E+09

15.3 – FILTERING
U
CENTRIFUGE
Keyword Summary
FCENTRIFUGE UID=uid, {NAME=text}


DESIGN LDIAMETER(unit)=value,value,{value, ...},
LRPM=value, {value, value, ...},
and/or
TYPE=text
RATING DIAMETER=value, {RPM=value}, TYPE=text

OPERATION RLIQUID=0.738, RCAKE=0.79, RHEIGHT=0.9545

PSOLIDS=50
or
MRES(unit)=0.2E+07, SRES(unit)=value
Alternative Definition of FCENTRIFUGE Parameters (optional)

or

METHOD SET=setid
Ge
{ } entries are optional ( ) keyword qualifiers values given are defaults ne
Chapter 15.3 FILTERING CENTRIFUGE 635

ral Information
The FCENTRIFUGE is used to decrease the liquid content of a stream containing solids.
The most common types of filtering centrifuge are basket types. A slurry mixture to be
filtered is fed to a rotating perforated basket lined with a cloth or mesh insert. This insert
retains the solids as the liquid is forced through the basket by centrifugal force. The
FCENTRIFUGE may be operated in design or rating mode. In design mode, a list of
allowed bowl diameters (and optionally rotational speeds) is provided. One diameter and
speed is selected from this list, which satisfies the required flowrate. In rating mode, the
pressure drop is calculated for a given diameter and speed.
Consult the PRO/II Reference Manual for a description of the FCENTRIFUGE
computational algorithm.
Input Description
This must be the first statement of a FCENTRIFUGE unit. Section 10.2, Unit Operation
Input, describes all optional entries.

The FCENTRIFUGE always has two products. The FILTRATE product consists of the
liquid components removed from the feed(s) and contains no solids. The CAKE stream is
a mixed phase stream containing predominantly solids with some liquids.
FILTRATE The pure liquid product from the FCENTRIFUGE.

CAKE The solid/liquid product from the FCENTRIFUGE.

DESIGN LDIAMETER(unit)=value,value,{value, ...},
LRPM=value, {value, value, ...},
and/or
TYPE=text
RATING DIAMETER=value, {RPM=value}, TYPE=text
Either DESIGN or RATING must be selected. In RATING mode, the filtrate flowrate is
calculated. For DESIGN mode, just to accommodate the filtrate flow, the diameter is
selected from a list supplied by the user. As an alternative to supplying the TYPE of
filtering centrifuge, a list of rotational speeds may be provided. The keyword definitions are
as follows:

LDIAMETER For DESIGN only, enter a list of allowable diameters in
course-length units. A corresponding list of rotational speeds
may also be entered using the LRPM keyword. The “best”
diameter is selected such that the maximum filtrate
throughput of the centrifuge is just larger than the actual
filtrate flowrate.
LRPM For DESIGN only, enter a list of allowable rotational speeds
corresponding to the list of allowable diameters given with
the LDIAM keyword. As an alternative to this, enter the
TYPE of centrifuge.
DIAMETER For RATING mode, this is the diameter of the bowl in
RPM For RATING mode, this is the rotational speed of the bowl. If
TYPE is not given, RPM is required.
TYPE For either DESIGN or RATING mode, this is the type of
centrifuge. It is used to calculate the rotational speed based
on allowable centrifugal forces for the different types. It can
be given as alternative to the rotational speed. Allowable
types are:
Type
T T T Description T
WIDE Wide Angle

DIFF Differential Scroll
AXIAL Axial Vibration
TORSION Torsional Vibration
OSCIL Oscillating
Refer to the PRO/II Reference Manual for a complete description of the speed calculation.

OPERATION RLIQUID=0.738, RCAKE=0.79, RHEIGHT=0.9545
The OPERATION statement is required. All entries have default values. The keyword
definitions are as follows:
RLIQUID The ratio of the radius of the liquid surface to the radius of
the centrifuge. The default is 0.738.
RCAKE The ratio of the radius of the filter cake surface to the radius
of the centrifuge. The default is 0.79.
RHEIGHT The ratio of the height of the centrifuge to the radius of the
centrifuge. The default is 0.9545.

PSOLIDS=50
or
MRES(unit)=0.2E+07, SRES(unit)=value
The user is expected to supply cake properties as determined from laboratory
experiments or actual operating unit measurements. If such data is not available, the
model calculates the cake properties based on default values. Therefore, the
CAKEPROPS statement is optional. If default values are used, the reported design
conditions must be used with caution. However, the heat and material balances are
unaffected by the cake properties.
The percentage solids in the cake can be given directly (using PSOLIDS) or calculated
from the sphericity of the particles and the particle diameter. The particle diameter can be
defined directly using the DPARTICLE keyword or by the definition of a particle size
distribution for the feed stream(s).
Keyword definitions are as follows:
POROSITY The porosity of the cake. The default is 0.45.
PSOLIDS The percentage of solids in the filter cake. The default
is 50 percent. If the sphericity and particle diameter are
defined, it is calculated.
SPHERICITY The sphericity of the particles in the cake. This entry is
not required if PSOLIDS is given. It is used in
conjunction with DPARTICLE to calculate PSOLIDS.
The default is 0.75.
DPARTICLE The average particle diameter in the cake. If no particle
size distribution is defined for the feed stream, then
DPARTICLE may be given instead. It is used in
conjunction with SPHERICITY to calculate PSOLIDS
and is not required if PSOLIDS is used. The dimensions
of DPARTICLE are fine-length.
MRES The resistance of the filter cloth or screen to the filtrate.
This has dimensions of reciprocal course-length. The
default is 0.2E+07/m or equivalent in other dimensional
units.
SRES The specific resistance of the cake. This has
dimensions of course-length per weight. The default is
0.2E+07 m/kg or the equivalent in other dimensional
units.
Alternative Definition of FCENTRIFUGE Parameters (optional)


or
FCENTRIFUGE parameters, DIAMETER, RPM, POROSITY, MRES, SRES, RHEIGHT,
RCAKE, RLIQUID, PSOLIDS, SPHERICITY, and DPARTICLE may all be defined relative
to any available stream <reference>property (Tables 10.2-2 A-B) or unit operation
<reference> parameters (Tables 10.2-3 A-H). Examples are given at the end of this
section. Refer to Section 10.5 for a discussion of the DEFINE construct. The
FCENTRIFUGE supports a maximum of nine DEFINE statements.

METHOD SET=setid
operations.
Examples
1: Filtering Centrifuge Design
In this example, a filtering centrifuge is to be designed. Stream F101 is fed to the
FCENTRIFUGE and separated into liquid filtrate product L101 and a filtered solids
product, S101. Three possible diameters are given. The centrifuge type is specified as a
differential scrolling type. Knowledge of the type, along with a diameter, determines the
filtrate throughput. The resistance of the cake and screen is given. The percentage solids
content of the cake is determined using the default value for sphericity (0.75) and the
particle size distribution of the feed which must have been given elsewhere. The cake
porosity defaults to 0.45.
Default values for the liquid surface radius, cake surface radius, and centrifuge height are
used.
The diameter and rotational speed is determined by choosing one of the supplied
diameters, such that the maximum filtrate flow is just accommodated.
FCENTRIFUGE UID=D1,NAME=FCEN-103-1
FEED F101
DESIGN LDIAM(FT)=1.5,3.0,6.0,TYPE=DIFF
CAKEPROPS MRES=1E+6, SRES=1.5E+5

2: Filtering Centrifuge Rating
In this example, the filtrate flowrate is calculated based on an input bowl diameter of 3 feet
and drum speed of 1000 rpm. Since the RPM is specified, the TYPE of centrifuge is not
required. Feed stream F101 is separated into a filtrate stream L101 and a solids cake,
S101.
The height of the centrifuge is given as equal to its radius. The cake occupies 20 percent
of the radius, and the liquid occupies 10 percent of the radius.
Since PSOLIDS (percent solids) content is specified, a particle size distribution need not
be defined for the feed stream. The cake porosity is given as 0.4.
FCENTRIFUGE UID=D2,NAME=FCEN-103-2
FEED F101
RATING DIAMETER(FT)=3.0, RPM=1000.0
OPER RHEIGHT=1.0, RCAKE=0.8, RLIQUID=0.7
CAKEPROPS PSOLIDS=80, POROSITY=0.4
3: Filtering Centrifuge using DEFINEs

This example shows a feed stream F101 being filtered to produce a solids-free liquid
filtrate stream L101 and a mixed phase stream S101, which is mainly solid but contains
some liquids. The filtering centrifuge is operated in rating mode, but the diameter and
speed of the bowl are defined using a CALCULATOR unit operation elsewhere in the
flowsheet. Likewise, the percentage solids content of the cake and the porosity are
defined using the CALCULATOR. In this way these properties can be calculated at run
time, subject to the values of other flowsheet variables. Only the cake resistance and filter
resistance are fixed directly in the FCENTRIFUGE input. The cake thickness, liquid layer
thickness, and bowl height use default ratios to the bowl diameter.
FCENTRIFUGE UID=DD1,NAME=FCEN-103-3
FEED F101
RATING
DEFINE DIAMETER AS CALCULATOR=CA1, RESULT(1)
DEFINE RPM AS CALCULATOR=CA1, RESULT(2)
DEFINE PSOLIDS AS CALCULATOR=CA1, RESULT(3)
DEFINE POROSITY AS CALCULATOR=CA1, RESULT(4)
CAKEPROP SRES=2.2E+09, MRES=1.5E+7

15.4 – COUNTER
U
CURRENT DECANTER
Keyword Summary
Slurry Feed Streams (required)

SLURRY FEED sid, {sid, . . .}
Wash Feed Streams (optional)

WASH FEED sid, {sid, ...},

PROD OVERFLOW=sid, UNDERFLOW=sid

DESIGN STAGES=1,10,50, OVERFLOW or UNDERFLOW,
RECOVERY=value and COMP=i, j
or
RATING STAGES=value

OPERATION LRATIO=value, WRATIO=0.0,
DP=0.0 or PRES=value
Alternative Definition of CCDECANTER Parameters (optional)

or

METHOD SET=setid

Chapter 15.4 COUNTERCURRENT DECANTER 641

General Information
The CounterCurrent DECANTER (CCDECANTER) models a multistage process of liquid
dilution and solid separation. Each stage consists of a mixing step and a solids separation
step. The overflow stream contains primarily liquid with a little entrained solids, and the
underflow stream contains primarily solids with some entrained liquid. The model is
intended for material balance calculations only and not for design analysis of parameters
such as settling velocities, residence times, or particle diameters, and so on. The model
can be used in rating mode with a single stage or with multiple stages.
Every stage operates with the same overflow to underflow volumetric flowrate ratio and
the same overflow to underflow solids mass concentration ratio. No external interstage
feed or product streams are allowed. Such requirements can be modeled using several
CCDECANTERS in series and recycle.
The CCDECANTER is intended for use when it is desired to recover one or more liquid
phase components from the slurry liquid, by countercurrent decantation with a solvent.
The CCDECANTER can be used either as a clarifier or thickener, depending on the
application. If the objective is a clear overflow, then the term clarifier is appropriate. If the
objective is to concentrate the underflow, then the term thickener is appropriate. In either
case, a slurry mixture is fed to the unit, and separation of the solid and liquid phases is
achieved using gravity. This is sometimes referred to as sedimentation. However, note
that rigorous sedimentation calculations are not performed. Solid separation calculations
are based on straightforward separation factors.
The CCDECANTER may be operated in design or rating mode. In design mode, the
number of stages is determined within a designated range, to satisfy a specification of a
liquid component recovery in either the overflow or underflow streams. In rating mode, the
number of stages is fixed, and the overflow and underflow liquid compositions are
calculated.
Refer to the PRO/II Reference Manual for a description of the CCDECANTER
Input Description
This must be the first statement of a CCDECANTER unit. Section 10.2, Unit Operation
Slurry Feed Streams (required)

SLURRY FEED sid, {sid, . . .}
At least one slurry feed stream must be given, and it must contain both liquid and solid
phases.
Wash Feed Streams (optional)

WASH FEED sid, {sid, ...},

Wash streams are optional. If no WASH stream is provided, the unit performs as a solids
separator only. Under these conditions, only RATING mode is allowed and not the
DESIGN mode.

PROD OVERFLOW=sid, UNDERFLOW=sid
The CCDECANTER always has two products. The OVERFLOW product consists of the
liquid components in the feed(s) and normally contains ppm solids. The UNDERFLOW
stream is a mixed phase stream containing predominantly solids with some liquid.

DESIGN STAGES=1,10,50, OVERFLOW or UNDERFLOW,
RECOVERY=value and COMP=i, j
or
RATING STAGES=value
Either DESIGN or RATING must be used, not both. In DESIGN mode, the number of
stages is selected to achieve a given liquid component recovery in either the OVERFLOW
or UNDERFLOW streams, generally, the OVERFLOW stream. For DESIGN mode, a
WASH feed must be present. In RATING mode, the number of stages is fixed, and the
solids content in the product streams is calculated. Keyword definitions are as follows:
STAGES In RATING mode, enter the number of stages directly. In

DESIGN mode, enter three numbers separated by commas.
STAGES = min, max, fail
The “min” and “max” entries are the minimum and maximum
allowable number of stages and default to 1 and 10,
respectively. (The calculated solids content is based on the
next largest integer number for stages.) The “fail” entry must
always be greater than or equal to the maximum number of
stages, and it defaults to 50. If the number of stages required
is greater than the “max” entry and less than the “fail” entry,
then a warning message is printed, and the unit solves at the
calculated number of stages. If the number of stages required
is greater than the “fail” entry, then the unit fails to converge.
OVERFLOW The DESIGN specification is on the overflow stream. This is
the default.
or The DESIGN specification is on the underflow stream.
UNDERFLOW
RECOVERY For DESIGN, enter the percentage recovery on a weight
and basis for a desired liquid phase component (COMP=i) or
COMP group of components (COMP=i, j). The number of stages is
determined to meet this specification. The only basis for the
recovery specification is weight.

OPERATION LRATIO=value, WRATIO=0.0,
DP=0.0 or PRES=value
This statement is required and defines the solids separation in each stage of the
CCDECANTER. Both LRATIO and WRATIO must be given.
LRATIO The ratio of the OVERFLOW volumetric flowrate to the

UNDERFLOW volumetric flowrate from any stage. This is
assumed to be the same for all stages. This value must be
greater than 0.0.
WRATIO The ratio of the solids concentration in the OVERFLOW to
the solids concentration in the UNDERFLOW on a mass
basis. Concentration is defined as weight solids / volume
liquid. This is assumed to be the same for all stages. The
default is 0.0.
DP The pressure drop across the unit which defaults to 0.0
or The outlet pressure for the unit.
PRES
Alternative Definition of CCDECANTER Parameters (optional)

or
CCDECANTER parameters, WRATIO, LRATIO, and RECOVERY, may all be defined
relative to any available stream/tray property (Table 10.2-2) or unit parameter (Table 10.2-
3). Examples are given at the end of this section. Refer to Section 10.5 for a discussion of
the DEFINE construct. The CCDECANTER supports a maximum of nine DEFINE
statements.
Note that use of a DEFINE statement is equivalent to the direct use of the keyword.
Therefore, the appropriate rules must be obeyed. For example, if RECOVERY is
DEFINEd, then a DESIGN statement must be present without RECOVERY entered on it.
Under such circumstances, a RATING statement is also not allowed.

METHOD SET=setid
operations.

Examples
1: Countercurrent Decanter Design
In this example, a countercurrent decanter is to be designed. A slurry stream F101
consisting of sodium hydroxide and calcium carbonate is fed to the first stage of the
decanter, and a wash stream F102 of water is fed to the last stage. They are separated
into an underflow product S101 and an overflow product, L101. The number of stages is to
be determined (within the default range of 1 to 10) such that the recovery of sodium
hydroxide (component 1) in stream L101 is at 80.0 percent on a weight basis.
The volumetric ratio of overflow to underflow is 2.0, and the mass ratio of solids
concentration in the overflow with respect to the underflow is 0.0.
CCDECANTER UID=D1,NAME=CCDE-104-1
SLURRY FEED F101
WASH FEED F102
PRODUCT OVERFLOW=L101, UNDERFLOW=S101
DESIGN RECOVERY=80.0, COMPONENT=1
OPERATION LRATIO=2.0, WRATIO=0.0
2: Counter Current Decanter Rating

In this example, slurry feed stream F101 and wash feed stream F102 are fed to the mixing
sections of the first and last stages respectively, of a counter current decanter with 4
stages. The overflow product is designated as stream L101, and the underflow product is
designated S101. The operating parameters are the same as discussed in Example 1
above. The amount of sodium hydroxide lost with the underflow is determined.
CCDECANTER UID=D2,NAME=CCDE-104-2
SLURRY FEED F101
WASH FEED F102
PRODUCT OVERFLOW=L101, UNDERFLOW=S101
RATING STAGES=4
OPERATION LRATIO=2.0, WRATIO=0.0
3: Counter Current Decanter using DEFINEs

This is the same as example 2 above, except that the OPERATIONS data are DEFINED
as being the results of a CALCULATOR unit operation which exists somewhere else in the
flowsheet. This enables this data to be determined at run time based on other flowsheet
values, if appropriate.
CCDECANTER UID=DD1,NAME=CCDE-104-3
SLURRY FEED F101
WASH FEED F102
PROD OVERFLOW=L101, UNDERFLOW=S101
RATING STAGES=4
DEFINE WRATIO AS CALCULATOR=CA1, RESULT(1)
DEFINE LRATIO AS CALCULATOR=CA1, RESULT(2)


15.5 – DISSOLVER
U
Keyword Summary
DISSOLVER UID=uid, {NAME=text}
Feed Streams (required)


PROD OVHD=sid, BTMS=sid

OPERATION SOLUTE=i, SOLVENT=j, PRES(unit)=value or
DP(unit)=0.0,
TEMP(unit)=value or DT(unit)=0.0 or
DUTY(unit)=value,
CSPEST=value
Defining Additional Printout (optional)

PRINT CSD
DESIGN DRATE(unit)=value or DFRACTION=value
or
RATING VOLUME(unit)=value
Defining Mass Transfer (optional)

MASSTRANS DKC(m)=0.002, {AKC=value and BKC=value}
Alternative Definition of DISSOLVER Parameters (optional)

or

METHOD SET=setid

Chapter 15.5 DISSOLVER 647

General Information
Mass transfer controlled dissolution is a unit operation used in both organic and inorganic
processes. The most common is the stirred tank dissolver, in which the liquid is assumed
to be well mixed. The primary objective of the dissolver is to transform crystals in solution
from the solid to the liquid phase. For a given feed particle size distribution (PSD) and
operating condition, this model calculates the volume of the dissolver in design mode or
the exit PSD in rating mode when the volume is specified. The unit will automatically
calculate any required heat duty based on specified operating conditions.
If required, the heat exchanger is considered an integral part of the unit. The mass
transfer coefficient, Kc, depends on particle size, mixing intensity, liquid viscosity, and
B B
diffusivity of the solute. In addition, Kc increases with decreasing particle size when the
B B
particle diameter is sufficiently small. The user may enter data for calculating the mass
transfer coefficient, Kc, or allow PRO/II to calculate Kc using Treybal’s method. Binary
B B B B
diffusivity data may be entered in the Thermodynamic Data Category (Section 23).
Refer to the PRO/II Reference Manual for a description of the DISSOLVER computational
algorithm.
Input Description
DISSOLVER UID=uid, {NAME=text}
This must be the first statement of a DISSOLVER unit. Section 10.2, Unit Operation Input,

At least one feed stream must be given. If more than one feed is declared, the feed
pressure is assumed to be the lowest of the feed stream pressures. An adiabatic flash is
performed to determine the feed temperature.

The DISSOLVER must have both an OVHD and BTMS product. If no vapor is generated,
the OVHD is a null stream. The BTMS stream can be a mixed phase stream containing
any remaining solid crystals with liquids, or it may be all liquid.

OPERATION SOLUTE=i, SOLVENT=j, PRES(unit)=value
or DP(unit)=0.0,
TEMP(unit)=value or DT(unit)=0.0 or DUTY(unit)=value,
CSPEST=value

The SOLUTE and SOLVENT components must be identified on the OPERATION
statement. The SOLUTE is the component which is expected to dissolve. The SOLVENT
component is used as an aid in model convergence and is typically the predominant liquid
phase component.
The operating temperature or the heat exchanger duty or the temperature rise may be
given. If none is given, the temperature rise defaults to zero. The pressure drop defaults to
zero if not given. Valid operating conditions are DUTY or TEMP (or DT) with PRES (or
DP).
SOLUTE Enter the component number for the crystal solute.

SOLVENT Enter the component number for the predominant component
of the solvent.
TEMP The crystallizer operating temperature.
or The temperature increase across the DISSOLVER. A
DT negative value implies a temperature decrease. The default is
0.0.
Or The heat duty in the DISSOLVER in millions of energy unit
DUTY per time unit.
DP The pressure drop across the DISSOLVER. This defaults to
0.0.
or The operating (outlet) pressure.
PRES
CSPEST Estimate of the concentration of solute in the BTMS product.
This is optional.

PRINT CSD
Adding the PRINT statement requests auxiliary printout, which includes tables of fractions
and population densities for the feed and product streams, as a function of the crystal size
distribution.

DESIGN DRATE(unit)=value or DFRACTION=value
or
Either DESIGN or RATING can be selected, not both. For RATING, the DISSOLVER
volume must be given. For DESIGN, enter one (and only one) of the two possible design
criteria. The required volume is then calculated.

DRATE The dissolution rate of crystals in weight units per time.
or The fraction of the total solute in the combined feeds that is to
DFRACTION be dissolved.
VOLUME For RATING mode only, enter the DISSOLVER volume in
liquid volume units.
Defining Mass Transfer (optional)

MASSTRANS DKC(m)=0.002, {AKC=value and BKC=value}
This statement is used to define the terms in the mass transfer coefficient expression:
Kc = AKC/Dρ + BKC/(Dρ ** 0.1733)
B B 15.5-1
where:
KcB B = mass transfer coefficient, m/sec
Dρ = crystal diameter, m
and
2
AKC constant with dimensions m /s P P
BKC constant with dimensions consistent with Dρ in meters. If AKC is

given, BKC must also be given.
DKC Threshold diameter. By default, given in meters.
When Dρ is greater than DKC, the mass transfer expression is
evaluated at DKC.
When Dρ is less than or equal to DKC, the mass transfer
expression is evaluated at Dρ.
If the MASSTRANS statement is not given, the DISSOLVER uses the ‘Treybal’ method to
calculate the mass transfer coefficient. This method requires that the DIFFUSIVITY
method be provided in the Thermodynamic data Catagory. Further details can be
obtained from the PRO/II Reference Manual.
Alternative Definition of DISSOLVER Parameters (optional)

or
DISSOLVER parameters TEMP, DT, PRES, DP, DUTY, VOLUME, AKC, BKC, DRATE,
AND DFRACTION may all be defined relative to any available stream/tray property (Table
10.2-2) or unit parameter (Table 10.2-3).
Examples are given at the end of this chapter. Refer to Section 10.5 for a discussion of
the DEFINE construct. The DISSOLVER supports any number of DEFINE statements.

METHOD SET=setid

operations.
Examples
1: DISSOLVER Design
In this DISSOLVER, determine the required volume such that the dissolution rate of
crystals of the solute component is 1600 LB/HR. Two feed streams are present. The slurry
product is S1 and the remaining components leave in stream V1.
The solute is defined as component number 3; the solvent as component number 1.
The DISSOLVER operating temperature is given as 10 degrees greater than the feed and
a pressure drop is given as 0.5 PSI.
The mass transfer rate is calculated using the Treybal method.
DISSOLVER UID=D1, NAME=DISS-105-1
FEED FD1, WASH
PRODUCT OVHD=V1, BTMS=S1
PRINT CSD
OPERATION SOLUTE=2, SOLVENT=3, DT=10, DP=0.5
DESIGN DRATE=1600
2: DISSOLVER Rating
This DISSOLVER is essentially the same as the previous example, except that it operates
in rating mode. The volume is fixed at 40 cubic feet and the crystal production rate is
calculated.
Instead of giving the operating temperature, the duty of the unit is given as 0.2 million
Btu/hr. The total pressure drop is given.
FEED FD1, WASH
PRINT CSD
RATING VOLUME(FT3)=40
OPERATION SOLUTE=2, SOLVENT=3, &
DUTY(BTU/H)=0.2, DP=0.5
3: DISSOLVER using DEFINEs

This DISSOLVER is the same as the previous example except that the duty and the mass
transfer coefficient constants are computed in a CALCULATOR unit operation prior to
executing the DISSOLVER.

FEED FD1, WASH
PRINT CSD
RATING VOLUME(FT3)=1214.3
OPERATION SOLUTE=2, SOLVENT=3, DP=0.5
MASSTRANS
DEFINE DUTY(BTU/H) AS CALC=CAL1, RESULT(1)
DEFINE AKC AS CALC=CAL1, RESULT(2)
DEFINE BKC AS CALC=CAL1, RESULT(3)

15.6 – CRYSTALLIZER
U
Keyword Summary
CRYSTALLIZER UID=uid, {NAME=text}



OPERATION SOLUTE=i, SOLVENT=j,
TEMP(unit)=value or DUTY(unit)=value, DP(unit)=0.0
or PRES(unit)=value,
DT(unit)=value or RECIRCULATION(unit)=value
Defining Crystal Characteristics (optional)

CCALC SHAPE=1.0

PRINT CSD

DESIGN PRATE(unit)=value or PFRACTION=value
MT(unit)=value or SSRATIO=value
or
Defining Crystal Growth Rate (required)

GROWTH KG(unit)=value, GEXPONENT=1.0
Defining Crystal Nucleation Rate (required)

NUCLEATION KB(unit)=value, RPM=100.0,
BEXPONENT=0.0,1.0,0.0,0.0

Chapter 15.6 CRYSTALLIZER 653

Alternative Definition of CRYSTALLIZER Parameters (optional)
or

METHOD SET=setid
General Information
Crystallization is used in industrial processes for the manufacturing of organics,
inorganics, fertilizers, biochemicals, and polymers. The primary objective of the crystallizer
is to transform a supersaturated solution into a mixed solid/liquid crystal slurry. The
crystallizer is simulated as a Mixed Suspension Mixed Product Removal (MSMPR) model.
The model allows feed streams with or without crystals. The model currently does not
account for breakage or agglomeration of crystals. The crystallizer unit consists of several
component parts. If an operating temperature or duty is supplied, a feed heat exchanger is
employed. If a differential temperature or recirculation rate is supplied, a recirculation
calculation is employed. Figure 15.6-1 illustrates the crystallizer unit.
Figure 15.6-1 Crystallizer Model

There are two liquid-solid equilibrium methods available in PRO/II, the van’t Hoff and
solubility. The van’t Hoff method provides a good representation for near ideal solutions
which include most organic crystallization systems. A polynomial expression for the
solubility as a function of temperature should be used when data are available and with
inorganic systems. A transport properties method must also be specified by the user.
Crystallization occurs in supersaturated solutions. Formation of new crystals (nucleation)
may result from any one, or a combination of different mechanisms. Secondary
nucleation usually has a predominant influence and is the one considered in the model. As
with nucleation, growth rate can also be a complex differential expression. For engineering
design purposes, an empirical power law relationship is typically found to be adequate.
Refer to the PRO/II Reference Manual for a desription of the CRYSTALLIZER
Input Description
CRYSTALLIZER UID=uid, {NAME=text}
This must be the first statement of a CRYSTALLIZER unit. Section 10.2, Unit Operation

At least one feed stream must be given. If more than one feed is declared, the feed
pressure is assumed to be the lowest of the feed stream pressures. An adiabatic flash is
performed to determine the feed temperature.

The CRYSTALLIZER must have a BTMS product which is a mixed phase stream
containing solid crystals in liquid. The OVHD stream is required and consists of any vapor
generated in the unit. If no vapor is present, the OVHD is a null stream.

OPERATION SOLUTE=i, SOLVENT=j,
TEMP(unit)=value or DUTY(unit)=value, DP(unit)=0.0 or
PRES(unit)=value,
DT(unit)=value or RECIRCULATION(unit)=value
The SOLUTE and SOLVENT components must be identified on the OPERATION
statement. The SOLUTE is the component which is expected to crystallize. The
SOLVENT component is used as aid in model convergence, and is typically the
predominant liquid-phase component.
The CRYSTALLIZER unit includes a heat exchanger, crystallizer and recirculation flow.
Either the operating temperature or the heat exchanger duty may be given. If neither is
given, the operating temperature of the crystallizer is assumed to be at feed conditions.

Likewise, either the recirculation flowrate or the temperature change across the heat
exchanger must be given to activate the recirculation option. If neither flowrate nor the
temperature rise is given, recirculation is turned off. The pressure drop default is zero, if
not given.
SOLUTE Enter the component number for the crystal solute.

SOLVENT Enter the component number for the predominant component of
the solvent.
TEMP The crystallizer operating temperature.
or The heat duty for the heat exchanger in millions of energy units
DUTY per time.
DP The pressure drop across the heat exchanger and the
crystallizer.
or The operating (outlet) pressure.
PRES
DT The temperature change across the heat exchanger. A negative
value implies a temperature decrease. Used to calculate the
recirculation flowrate.
or The recirculation flowrate in liquid volume units per time unit.
RECIRCULATION Used to calculate the temperature change across the heat
exchanger.
Defining Crystal Characteristics (optional)

CCALC SHAPE=1.0
The definition of the crystal shape factor is optional and the default is 1.0, indicating cubic.
For spherical crystals, the shape factor is p/6.

PRINT CSD
Adding the PRINT statement requests auxiliary printout, which includes tables of fractions
and population densities for the feed and product streams, as a function of the crystal size
distribution.

DESIGN PRATE(unit)=value or PFRACTION=value
MT(unit)=value or SSRATIO=value
or
Either DESIGN or RATING can be selected, not both. For RATING, CRYSTALLIZER
volume must be given. For DESIGN, enter one (and only one) of the four possible design
criteria. The required volume is calculated.

PRATE The production rate of crystals, in weight units per time unit.
or The fraction of the total solute in the combined feeds that is
PFRACTION to be crystallized.
or The magma density required in the BTMS product in units
MT of liquid density (weight units of crystals per liquid volume
units of slurry).
or The supersaturation ratio defined as:
SSRATIO
(Xexit - Xeq) / Xeq
B B B B B B
where:
X exit
B B = The liquid phase mole fraction of the solute component
in the BTMS product.
Xeq
B B = The equilibrium (or saturation) mole fraction of the solute
component in the BTMS liquid as calculated by the
thermodynamic solubility method selected.
VOLUME For RATING mode only, enter the CRYSTALLIZER volume

in liquid volume units.
Defining Crystal Growth Rate (required)

GROWTH KG(unit)=value, GEXPONENT=1.0
The crystal growth, G, is typically in the range of 2E-7 to 2E-8 m/sec. G is governed by the
following expression:
GEXPONENT
G = KG * (SSRATIO) P P
where:
SSRATIO = Supersaturation ratio (dimensionless)
G = Crystal growth rate, in units of velocity or length per time
as given on the KG qualifier.
and
KG Kinetic rate constant for growth rate. This is required. The
dimensional units must be either FT/S (the default for English
units) or M/S (the default for metric and SI).
GEXPONENT Exponential factor (defaults to 1.0). The value typically
ranges between 0.0 and 2.5, with 1.0 being most common.
Defining Crystal Nucleation Rate (required)

NUCLEATION KB=value, RPM=100.0, BEXPONENT=I, j, k, l
This statement is required and defines the crystal nucleation rate. The units for the
nucleation rate are the number of crystals nucleated per unit time per unit liquid volume
according to the expression:

B = KB * MTi * SSRATIOj * Gk * RPMl
P P P P P P P P 15.6-1
where: B = Nucleation rate (units of number per time per liquid volume).
The volume units are given on the KB qualifier. A typical
value for B is on the order of 2E+4 crystals/S/L of solution.
MT = Magma Density (units of liquid density)
SSRATIO = Supersaturation ratio (dimensionless)
G = Crystal growth rate (units of velocity)
and
KB Kinetic rate constant for nucleation.
RPM Impeller speed in revolutions/minute.
BEXPONENT Exponential parameters. Default values are i=0.0, j=1.0, k=0.0 and
l=0.0. Typical values for j range between 0.5 to 2.5 for secondary
nucleation and higher (up to 10) for primary nucleation.
A consistent set of units must be used for terms in the nucleation expression.
Dimensional units are defined on the DIMENSION statement in the General Data
category.
Alternative Definition of CRYSTALLIZER Parameters (optional)

or
There CRYSTALLIZER parameters, TEMP, DT, PRES, DP, DUTY, VOLUME, MT,
PRATE, PFRACTION, SSRATIO and RECIRCULATION, may all be defined relative to
any available stream/tray property (Table 10.2-2) or unit parameter (Table 10.2-3).
Examples are given at the end of this section. Refer to Section 10.5 for a discussion of the
DEFINE construct. The CRYSTALLIZER supports any number of DEFINE statements.

METHOD SET=setid
operations.
Examples
1: Crystallizer Design
In this CRYSTALLIZER the required volume is to be determined such that the production
rate of crystals of the solute component is 10000 kgs/hour. Two feed streams are present.
The slurry product is S1, and any resulting vapor components leave in stream V1.
The solute is defined as component number 2, and the solvent as component number 1.

The CRYSTALLIZER operating temperature and pressure are given as -80 degrees F and
15 psia. The temperature rise across the heat exchanger preceding the crystallizer is 2ÉC.
Growth and nucleation rates are directly proportional to the supersaturation ratio. Crystal
size distributions are printed.
CRYSTALLIZER UID=D1,NAME=CRYS-106-1
FEED FD1, WASH
PRINT CSD
OPERATION SOLUTE=2, SOLVENT=1,TEMP(F)=-80, &
PRES=15, DT(C)=2
DESIGN PRATE(KG/HR)=10000
GROWTH KG(M/S)=0.1217
NUCLEATION KB=12650.
2: Crystallizer Rating
This CRYSTALLIZER is essentially the same as the previous example, except that it
operates in rating mode. The volume is fixed at 1214.3 cubic feet and the crystal
production rate is calculated.
Instead of giving the temperature rise across the heat exchanger, the recirculation flowrate
is given. The total pressure drop is given instead of the operating pressure.
CRYSTALLIZER UID=D1, NAME=CRYS-106-2
FEED FD1, WASH
PRINT CSD
OPERATION SOLUTE=2, SOLVENT=1,TEMP(F)=-80, &
DP=0.5, RECIRC(GAL/M)=50.0
GROWTH KG(M/S)=0.1217
3: Crystallizer using DEFINEs

This CRYSTALLIZER is the same as the previous example, except that the recirculation
flowrate is computed in a CALCULATOR unit operation prior to executing the
CRYSTALLIZER.
CRYSTALLIZER UID=D1, NAME=CRYS-106-3
FEED FD1, WASH
PRINT CSD
OPERATION SOLUTE=2, SOLVENT=1, DP=0.5
GROWTH KG(M/S) =0.1217
DEFINE RECIRC(GAL/M) AS CALC=CAL1, RESULT(1)

15.7 – MELTER /
U
FREEZER
Keyword Summary
MELTER/FREEZER UID=uid, {NAME=text}

PROD V=sid L=sid, {W=sid, S=sid},
or
V=sid or L=sid, {S=sid, W=sid},
or
S=sid, M=sid, {W=sid},
or
V=sid or L=sid or S=sid or M=sid {W=sid}

OPERATION TEMPERATURE(unit)=value or DT(unit)=0.0,
PRESSURE(unit)=value or DP(unit)=0.0,
{TESTIMATE(unit)=value,
MELFRAC (basis) =i, j, fraction/…

FREFRAC (basis) =i, j, fraction/…

or
Valid<param> entries are PRESSURE, DP, TEMPERATURE, DT, MELFRAC and
FREFRAC.

METHOD SET=setid


General Information
The MELTER/FREEZER unit operation model provides the capability to melt a solid to
transform it into the liquid phase and freeze a liquid to transform it into the solid phase.
The component phase type must be VLS or LS for each component to be considered for
this operation. Calculations are based on the melting temperature of the component and
liquid-solid equilibrium effects are not considered.
This unit can operate in two modes. If the optional MELFRAC or FREFRAC keywords are
not supplied on the OPERATION statement, the melting temperature is used to determine
appropriate phase transformations. If the MELFRAC and FREFRAC keywords are used,
the unit will ignore the melting temperature for those components specified. The specified
fractions then determine the extent of phase transformation.
The products are flashed at outlet pressure and temperature to determine vapor-liquid
distribution. The duty is reported taking into account the initial and final thermodynamic
states (which includes the heat of fusion for transformed solid components).
Input Description
MELTER/FREEZER UID=uid, {NAME=text}
This must be the first statement of a MELTER/FREEZER unit. Section 10.2, Unit
Operation Input, describes all optional entries.

PROD V=sid L=sid, {W=sid, S=sid},
or
V=sid or L=sid, {S=sid, W=sid},
or
S=sid, M=sid, {W=sid},
or
V=sid or L=sid or S=sid or M=sid {W=sid}
One FEED and one PRODUCT statement is required by each MELTER/FREEZER
module. Most of the entries on both statements are general to all unit operations. Refer to
Section 10.2 for description of their usage.
The phase distribution for each product on the PROD statement is given in Table 15.7-1.
Chapter 15.7 MELTER/FREEZER 661

TABLE 15.7-1
PHASE DISTRIBUTION FOR MELTER/FREEZER PRODUCTS
Phase Distribution
Product Statement Entries V L S M
V=sid, L=sid, S=sid vap liq sol
V=sid, L=sid vap liq - -
sol
V=sid, S=sid vap - sol -
liq
L=sid, - liq sol -
S=sid vap
S=sid, - - sol vap
M=sid liq
V=sid vap - - -
liq - - -
sol - - -
L=sid - vap - -
- liq - -
- sol - -
S=sid - - vap -
- - liq -
- - sol -
M=sid - - - vap
- - - liq
- - - sol
If free water (liquid) is present and no ‘W’ stream is specified, the
free water will appear in the first available product stream according
to the following hierarchy: L, V, S.

OPERATION TEMPERATURE(unit)=value or DT(unit)=0.0,
PRESSURE(unit)=value or DP(unit)=0.0,
{TESTIMATE(unit)=value,
MELFRAC (basis)=i, j, fraction/…

FREFRAC (basis) =i, j, fraction/…
The pressure and temperature are declared on the OPERATION statement. Optionally,
the melt-fraction or freeze-fraction of each component may be given here.

TEMPERATURE The operating temperature or temperature change from the
or DT combined feeds temperature. A positive DT represents a
temperature decrease. The default DT is 0.0.
TEST Initial estimate for outlet temperature (optional).
PRESSURE The operating pressure or pressure drop from the combined
or DP feeds pressure. The default DP is 0.0.
MELFRAC Specifies the solids that are to be converted to liquid.
“fraction” is the fraction of components “I” through “j” present
as solids in the feed to be converted. The melting
temperature is not considered in this calculation. The exit
thermal conditions determine if the melted components are
further transformed to vapor. If “j” is not provided, only a
single component “I” is converted. If at least one MELFRAC
or FREFRAC keyword is given, components not included on
either a MELFRAC or a FREFRAC keyword do not undergo
any phase transformation.
Liquid quantities of components “I” through “j”

present in the feed are not considered in determining how
much solids are melted. The “fraction” entry considers initial
solids only.
FREFRAC Specifies the liquids that are to be converted to solid.
“fraction” is the fraction of components “I” through “j” present
as liquids in the combined feed to be converted. The melting
temperature is not considered in this calculation. If “j” is not
provided, only a single component “I” is converted. If at least
one MELFRAC or FREFRAC keyword is given, components
not included on either a MELFRAC or a FREFRAC keyword
donot undergo any phase transformation.
Solid and vapor quantities of components “I” through

“j” present in the combined feed are not considered in
determining how much is frozen. The “fraction” entry
considers only liquid present in the feed after adiabatically
combining all feeds at the lowest feed pressure.

or
MELTER/FREEZER parameters TEMPERATURE, DT, PRESSURE, DP, MELFRAC and

FREFRAC may all be defined relative to any available stream/tray property (Tables 10.3-2
A-B) or unit parameter (Tables 10.3-3 A-H).
Examples are given at the end of this chapter. Refer to Section 10.5 for a discussion of
the DEFINE construct. The MELTER/FREEZER supports any number of DEFINE
statements.

METHOD SET=setid
operations.
Examples
1: In this example, the liquid product goes into stream 1 and the solid product into stream
2. Components 1 and 2 melt at a feed fraction of 0.09 and component 4 melts completely.
Half of the component 3 is frozen.
MELTER UID=EX1, NAME=MELTFREEZ
FEED F1
PRODUCT L=1, S=2
OPERATION TEMP=100, DP=0.0, MELFRAC=1,2,0.09/4,1.0, &
FREFRAC=3,0.5
2: In this example, the melted liquid product goes into stream 1 and the solid product into
stream 2. Each component in feed F2 will be totally solid or totally liquid depending on its
melting temperature.
MELTER UID=EX2, NAME=MELTFREEZ
FEED F2
PRODUCT L=1, S=2
OPERATION TEMP=150, DP=0.0


15.8 – SOLIDS
U
SEPARATOR
Keyword Summary
SSEPARATOR UID=uid, {NAME=text}

PROD sid1, sid2

RPARM 1.00

METHOD SET=setid
General Information
The SOLIDS SEPARATOR unit operation provides the capability to separate solid phase
material from a mixture of feed streams. The maximum allowed number of feed streams is
10 and the unit requires both an overhead and a bottom product. The solids separator
operates adiabatically at the lowest of the individual feed stream pressures.
Keyword Description
SSEPARATOR UID=uid, {NAME=text}
This must be used as the first statement of a SOLIDS SEPARATOR unit. Section 10.2,
Unit Operation Input, describes all optional entries.

PROD sid1, sid2
One FEED and one PROD statement is required. At least one feed stream must be
supplied, but a maximum of 10 may be provided. An overhead product stream (sid1) and
a bottom product stream (sid2) must be provided on the PROD statement.


RPARM 1.00
The fraction of the solid component separated in the bottoms stream is specified on the
RPARM statement. By default, this fraction is 1.00.

METHOD SET=setid
operations.
Chapter 15.8 SOLIDS SEPARATOR 667

15.9 – CYCLONE
U
Keyword Summary
CYCLONE UID=uid, {NAME=text}

FEED sid, {sid,...}
PROD sid1, sid2

IPARM i, j, k, ...
RPARM r, p, q, ...

METHOD SET=setid
General Information
The cyclone separator unit operation provides the capability to separate solid phase
material with particle size distribution data from vapor streams. A mixture of up to 10 feed
streams is allowed and the unit requires both an overhead and a bottoms product. The
cyclone operates adiabatically at the lowest of the individual feed stream pressures
unless otherwise specified (inlet pressure or pressure drop between feed stream and
inlet may be specified). Liquid feeds are not allowed and all solid components must have
particle size distribution data. The cyclone may be operated in either rating or design
mode.
Using the Cyclone Unit in Rating Mode

In rating mode, the unit determines the efficiency of a cyclone if the appropriate cyclone
size parameters are provided. See the Defining Operating Conditions section below for
the required parameters.
Three methods are provided for determining the efficiency of the cyclone:
1. The Lapple method. This model is based on a ratio of particle diameter to cut
diameter (the diameter of the particles which are collected with 50% efficiency).
2. The Koch and Licht method, and


3. The American Petroleum Institute (API) method. The API method offers an
adjustment to cyclone efficiency based on the amount of solids fed to the
cyclone.
Strictly speaking, the API adjustment is applicable only to the overall efficiency
and not to the individual efficiencies. However, there is no way to determine the
individual efficiencies and so no way to determine the particle size distribution of the
exiting streams without applying the adjustment to the individual efficiencies. The
alternative is to ignore the adjustment due to loading completely. That adjustment is
optional in the cyclone. Also, some individual efficiencies may be greater than 100%
(more than complete removal of those solids from the gas stream) in which case, the
efficiencies are reduced to 100% (complete removal of those solids from the gas
stream) and a warning is printed in the output.
The cyclone can determine the overall efficiency and particle size distribution of a
stream with multiple components (up to a total of 76 solid components) each with
different inlet particle size distributions. The particle size distribution of each component
is limited to 26 cut sizes (25 size ranges).
Two methods are provided for determining the pressure drop in the cyclone:
The Koch and Licht method. This model yields a conservative estimate of the
pressure drop since it assumes a gas-only feed. An adjustment to the pressure
drop to account for low solids loading is applied if the solid loading is sufficiently
small.
The API method. This method is recommended only for solids loading greater
than 4 pounds of solids per second per square foot of inlet area.
A setting is available in the cyclone to automatically switch from one

pressure drop method to another, based on the solids entering the cyclone
(e.g., as the loading changes in series cyclones).
The rating mode supports multiple cyclones in series or in parallel, provided the
cyclones are of identical size.
Using the Cyclone Unit in Design Mode

In the design mode, the diameter of the cyclone is determined given a desired
efficiency. The result may dictate the need for multiple cyclones. The user can specify
the multiple cyclones to be configured either in parallel or in series. A maximum
pressure drop (across all cyclones in the unit) may be specified in design mode.
Keyword Description
CYCLONE UID=uid, {NAME=text}
This must be used as the first statement of a CYCLONE unit. Section 10.2, Unit
Operation Input, describes all optional entries.

Chapter 15.9 CYCLONE 669

FEED sid, {sid,...}
PROD sid1, sid2
One FEED and one PROD statement is required. At least one feed stream must be
supplied, but a maximum of 10 may be provided. An overhead product stream (sid1)
and a bottom product stream (sid2) must be provided on the PROD statement.

IPARM i, j, k, ...
RPARM r, p, q, ...
The CYCLONE unit operating conditions are specified using RPARM and IPARM
entries. These entries must be separated by commas; unspecified values may be left
blank or filled with a zero (A) except for the first entry on each statement which must be
specified or filled with a zero. The numbers in parentheses following the words IPARM
or RPARM are described in the sections below and indicate the position on the
appropriate statement, which corresponds to the attribute described. For example,
IPARM(1) indicates that the first position on the IPARM statement is associated with the
rating or design mode choice, IPARM(2) is associated with the choice of efficiency
calculation model, and IPARM(3) is associated with the pressure drop calculation
model. The statement:
IPARM 1,3,2,…
indicates that the rating mode with Lapple efficiency calculations and API pressure drop
calculations will be used.
IPARM Inputs
IPARM(1) This input is the calculation mode:

(Rating and 1: rating
U U
Design modes) 2: design

IPARM(2) This optional entry is the efficiency model:
(Rating and 1: Koch & Licht
U U
Design modes) 2: API

3: Lapple
The Lapple model is based on a ratio of particle diameter to cut
diameter (the diameter of the particles which are collected with
50% efficiency). The API method is based on a ratio of particle
diameter to critical diameter (the diameter of particles which would
be collected at 100%). The Koch & Licht method is not based on a
particle size ratio.
IPARM(3) This optional entry is the pressure model:
(Rating and 1: Koch & Licht
U U
Design modes) 2: API

IPARM(4) This optional entry is the geometry:
(Rating and 1: Stairmand
U U
Design modes) 2: High efficiency Swift

3: Lapple
4: General purpose Swift
5: Peterson & Whitby
6: User-defined geometry
If the user-defined geometry is used, values must be specified for
the inlet height ratio, inlet width ratio, cyclone dust outlet diameter
ratio, cyclone gas outlet diameter ratio, gas outlet tube length
ratio, height of cylindrical section ratio, and total cyclone height
ratio as appropriate for the calculation method used as shown in
Figure 15.9-1.
Figure 15.9-1: Typical Cyclone

where:
a= inlet height
b= inlet width
B= cyclone dust-outlet diameter
Dc = cyclone diameter
De = cyclone gas outlet diameter
h= cyclone cylindrical height
H= height of cylinder and cone
S= cyclone gas outlet length

For a standard cyclone, the dimensions can be related to the
diameter as follows:
a= Dc/2
B B
b= Dc/4
B B
B= Dc/4
B B
De =
B B Dc/2
B B
Figure 15.9-2: Inlet Types Available as Cyclone Unit Choices

IPARAM(5) This optional entry is the inlet vane:
(Rating and 1: no
U U
Design modes) 2: yes
IPARM(6) This optional entry is the shape of gas inlet as shown on

(Rating and Figure 15.9-2:
Design modes) 1: tangential
U U
2: scroll or volute
3: axial
IPARM(7) This optional entry specifies whether the cyclone is inside a
(Rating and vessel or not:
Design modes) 1: no
U U
2: yes
For a value of 2, RPARM(9) and RPARM(10) must be
specified. Dipleg size, RPARM(62), is calculated if the value
of 2 is entered.
IPARM(8) This optional entry is the setting for efficiency adjustment due
(Rating and to loading:
Design modes)
1: adjust
U U
2: do not adjust.

IPARM(9) This optional entry specifies the automatic switching of the
(Rating and pressure drop model:
Design modes) 1: do not switch
U U
2: switch
This entry allows changes to be made automatically in the
pressure drop model between the Koch & Licht and API
methods based on solids loading.
IPARM(10) This optional entry determines the configuration of multiple

(Rating and cyclones:
Design modes) 1: parallel
U U
2: series.
IPARM(11) This optional entry is the number of identical cyclones in
(Rating modes) series or parallel and is based on the value supplied for the
maximum number of cyclones (IPARM(20)). The default is 1.
IPARM(12) IPARM(12) and IPARM(13) can be used together to specify

(Rating mode) the component and PSD size range whose weight fraction in
the overhead will be output to RPARM(64). RPARM(64) can
be accessed by a controller, MVC or optimizer.
For example, if a solid with PSD data: 10, 20, 30, 40 (in
default input units) is required to have a weight fraction of
0.20 in size range 20 to 30, the value for IPARM(12) would be
2 and the value for a define statement would be 0.20.This
optional entry is the number of particle range to be specified.
The default is 1.
IPARM(13) This optional input is the number of the component with

(Rating mode) particle size distribution data to be used specified in the
design. The default is, the first solid component with a PSD
that the design mode may evaluate.
IPARM(20) This optional entry is the maximum number of cyclones. The

(Design mode) value indicates the number of cyclones in parallel or series as
appropriate based on the value of IPARM(10). The default is
20 for parallel (IPARM(10)=1), 3 for series (IPARM(10)=2).

RPARM Inputs
RPARM(1) This required input is the diameter of the cyclone

(Rating and cylinder
Design modes)
RPARM(2) through RPARM(10) are used if IPARM(4) is set equal to 6,
signifying a user-defined geometry.
The cyclone geometry is input as the ratio of length divided by overall
cyclone body diameter, so that an inlet height of 0.1 meters on a cyclone
of diameter 0.2 meters would have an inlet height ratio of 0.1/0.2 = 0.5.
If a user-defined geometry is used, values must be specified for the inlet
height ratio, inlet width ratio, cyclone dust outlet diameter ratio, cyclone
gas outlet diameter ratio, gas outlet tube length ratio, height of cylindrical
section ratio, and total cyclone height ratio as appropriate for the
calculation method used.
RPARM(2) This optional entry is the inlet height ratio.
(Rating and
Design modes)
RPARM(3) This optional entry is the inlet width ratio.
(Rating and
Design modes)
RPARM(4) This optional entry is the cyclone dust outlet diameter
(Rating and ratio.
Design modes)
RPARM(5) This optional entry is the cyclone gas outlet diameter
(Rating and ratio.
Design modes)
RPARM(6) This optional entry is the gas outlet tube length ratio.
(Rating and
Design modes)
RPARM(7) This optional entry is the height of cylindrical section
(Rating and ratio.
Design modes)
RPARM(8) This optional entry is the inlet height ratio
(Rating and
Design modes)
RPARM(9) Diameter of vessel housing cyclone (IPARM(7)=2).
(Rating and
Design modes)
RPARM(10) This optional entry is the superficial gas velocity. If the
(Rating and diameter of the vessel housing the cyclone and the
Design modes) superficial gas velocity are used, the value for
IPARM(7) must be set to 2.

RPARM(11) This optional entry is the pressure drop to inlet, i.e., the
(Rating and pressure drop between the feed stream and the inlet to
Design modes) the cyclone. The default is 0.
RPARM(12) This optional entry is the absolute pressure at cyclone

(Rating and inlet. For use if cyclone inlet pressure differs from
Design modes) feed stream pressure. The default is the lowest feed
stream pressure.
RPARM(13) This required input is the goal efficiency for design
(Design mode) mode, overall efficiency (weight %).
RPARM(14) This optional entry is the minimum cyclone diameter.
(Design mode) The default is 0.1 m.
RPARM(15) This optional entry is the maximum cyclone diameter.
(Design mode) The default is 5.0 m.
RPARM(16) This optional entry is the maximum pressure drop
(Design mode) across cyclones in unit. The default is 2.488 kPa.
RPARM(17) This optional entry is the tolerance for cyclone body
(Design mode) diameter. The default is 0.001.
RPARM Outputs
RPARM(51) Overall efficiency (weight %). In design mode, this is an

(Rating and input value included in the output report for the cyclone
Design modes) unit.
RPARM(52) Diameter of cyclone cylinder. In rating mode, this is an
(Rating and input value included in the output report for the cyclone
Design modes) unit.
RPARM(53) Pressure drop. This is adjusted for loading as specified by
(Rating and the user.
Design modes)
RPARM(54) Total solids in overhead (weight % of total overhead
(Rating and stream).
Design modes)
RPARM(55) Inlet height dimension.
(Rating and
Design modes)
RPARM(56) Inlet width dimension.
(Rating and
Design modes)
RPARM(57) Cyclone dust outlet diameter dimension.
(Rating and
Design modes)

RPARM(58) Cyclone gas outlet diameter dimension.
(Rating and
Design modes)
RPARM(59) Gas outlet tube length dimension
(Rating and
Design modes)
RPARM(60) Height of cylindrical section dimension.
(Rating and
Design modes)
RPARM(61) Total cyclone height dimension.
(Rating and
Design modes)
RPARM(62) Dipleg diameter. This requires that the cyclone be located
(Rating and above a fluidized bed, i.e., IPARM(7) must be set equal to
Design modes) 2. This value is output in the cyclone output report, only if
applicable.
RPARM(64) PSD weight fraction in the overhead of the size and
(Rating and component specified by IPARM(12) and IPARM(13). This is
Design modes) the ratio of weight in the specified size range divided by the
weight of the component in the overhead. This value is
output in the cyclone output report, only if applicable.

METHOD SET=setid
Section 10.2, Unit Operation Input, for information on defining and selecting

Example
TITLE
PRINT INPUT=PART, WTFRAC, ION=NONE
DIMENSION SI, TIME=SEC, STDTEMP=273.15, STDPRES=101.325
SEQUENCE SIMSCI
CALCULATION RVPBASIS=APIN, TVP=310.93
COMPONENT DATA
LIBID 1,AIR/2,CACO3
ATTR COMP=2, PSD(MIC)= 10, 20, 30, 40, 60
THERMODYNAMIC DATA
METHOD SYSTEM=IDEAL, DENSITY(L)=API, &
SET=IDEA01, DEFAULT
STREAM DATA
PROPERTY STREAM=F1, TEMPERATURE=300, PRESSURE=101, &
PHASE=M, COMPOSITION(WT,KG/S)=1,0.9
SOLID STREAM=F1, COMPOSITION(WT,KG/S)=2,0.1
PSD COMP=2, DATA=0.1,0.15,0.5,0.25, STREAM=F1
PROPERTY STREAM=F2, TEMPERATURE=300, PRESSURE=101, &

PHASE=M, COMPOSITION(WT,KG/S)=1,0.9
SOLID STREAM=F2, COMPOSITION(WT,KG/S)=2,0.1
PSD COMP=2, DATA=0.1,0.15,0.5,0.25, STREAM=F2
UNIT OPERATIONS
CYCLO UID=CYC1
FEED F1
PRODUCT OVHD,BTMS
IPARM =2,3,2,1,1,1,1,1,2,2,4,,,,,,,,,6
RPARM =0.79244,,,,,,,,,,,,99.99
CYCLO UID=CYC2
FEED F2
PRODUCT OVHD2,BTMS2
IPARM =1,3,2,1,1,1,1,1,2,2,4,,,,,,,,,6
RPARM =0.78832
END

15.10 – MEMBRANE
U
SEPARATOR
Keyword Summary
MEMBRANE UID=uid, {Name=text}
FEED sid, {sid,….}
PROD sid1, sid2

RPARM r, p, {q, ...}

METHOD SET=setid
General Information
The Membrane Separator simulates the fractionation of components across a semi-
permeable membrane. A semi-permeable membrane is one that allows some but not all of
the components in a mixture to pass through it.
This model is applicable to high flux asymmetric membranes in any flow pattern provided
that the following assumptions are met :
1. A constant pressure on both the permeate and residue side.
2. The driving force is partial pressure as calculated by ideal gas law.
3. The residue side is well mixed.
4. The permeate side is plug flow.
5. The gas membrane unit is governed by the following equation:
Fi = Area × K i × (Pi ,residue − Pi , permeate )

where:
Fi = flow of component i in std (volume/time) units
B B
Area = area of membrane in (length)2 units

Pi = partial pressure of component i in (pressure) units = xiP
B B
For symmetric membranes, this model only applies to crossflow pattern.
Chapter 15.10 MEMBRANE SEPARATOR 679

The unit supports multiple feeds and two products. The most permeating components
cross the membrane and form the permeate product. The components that do not cross
the membrane form the residue product.
The permeate is the purified solution which has been forced through a semi-permeable
reverse osmosis membrane.
RPARM Inputs
RPARM(1) This required input is the Permeate Side Pressure
RPARM(2) This required input is the Membrane Area
RPARM(3) Optional entries used to supply the particular Permeation

through Constant for component n-2, e.g. RPARM(25) is used to
RPARM(302) supply the Permeation Constant of Component no 23
according to equation 15.10.1
Eq. 15.10.1 Flow(n) = RPARM(n-2) * PPDiff * Area

Where PPDiff is the partial pressure driving force for component n.

16.1 – CALCULATOR
U
Keyword Summary
CALCULATOR UID=uid, {NAME=text}
Calculator Setup (optional)

All statements in the setup section are optional. Most CALCULATORS have as a
minimum one DEFINE statement.
DIMENSION C(50), P(50), V(200), R(200), IX(9), IS(9)
SEQUENCE STREAM= sid, ...
CONSTANT i, j, value/ ...
DEFINE P(i) AS <unit type>=uid, <param>, {<op>, <ref>}
or
DEFINE P(i) AS STREAM=sid, <param>, {<op>, <ref>}
RESULT i, text/...

METHOD SET=setid
Calculator Procedure (required)

The PROCEDURE and RETURN statements are required. All others are optional.
PROCEDURE
FORTRAN Statements
DIMENSION var( ), var( ), ...
INTEGER var{()}, var{()}, ...
REAL var{()}, var{()}, ...
nn var = expression
nn CALL routine ()
nn GOTO mm
nn CONTINUE

Chapter 16.1 CALCULATOR 681

ELSE
ENDIF
nn DO mm IXi= i, j, k
nn DO mm ISi= sid1, sid2
nn OPEN (FILE=fileid, ACCESS=OVERWRITE or APPEND)
nn WRITE (*, format) expression, expression, ...
nn FORMAT (item, item, ...)
nn OUTPUT {R( i : j ), P( i : j ), C( i : j ), V( i : j ), IX( i : j ), IS ( i : j )}
nn DISPLAY {R( i : j ), P( i : j ), C( i : j ), V( i : j ), IX( i : j ), IS( i : j )}
nn TRACE option
nn STOP
nn RETURN
General Information
The CALCULATOR is a versatile utility module offering much of the calculational power of
FORTRAN. As a unit operation module, it may be placed anywhere in the flowsheet
calculation sequence. Using a simple language based on FORTRAN 77, it computes a
result or array of results for printout, for storage in a stream vector, or for use by other unit
modules. Its usefulness is limited only by the imagination of the user. Typical applications
include:
1. Compute special stream properties for use by a CONTROLLER, MVC, or
OPTIMIZER unit operation.
2. Compute process utility or operating costs for printout, convergence control, or
optimization.
3. Compute equipment size and cost, based on calculated unit parameters, for
printout or optimization.
The CALCULATOR has two main sections: setup and procedure. The setup section
retrieves flowsheet variables involved in the calculations, dimensions certain supplied
arrays, defines invariant constants, sequences streams for DO loop processing, and
assigns descriptive labels to elements of the RESULTS vector. The procedure section
contains FORTRAN-based statements which perform calculations.
Input Description
Calculator Setup
All statements in the setup section are optional.
DIMENSION C(50), P(50), V(200), R(200), IX(9), IS(9)
The DIMENSION statement overrides default dimensions to declare the number of
elements in CALCULATOR supplied arrays C, P, V, R, IX, and IS. The section “Elements
of the Language” describes each of these arrays.

In earlier versions of PRO/II, the V and IX arrays were used to hold local real and
integer variables. They are not needed in PRO/II 5.0, as these are handled using standard
FORTRAN variable conventions.
Integer arrays IX and IS each include element zero (IX(0) and IS(0) respectively). For
these arrays, the default dimension of nine indicates there are a total of 10 elements, IX(0)
through IX(9), and IS(0) through IS(9).
SEQUENCE STREAM= sid, ...
The SEQUENCE statement is required if code in the procedure section references
streams or cycles through a series of streams using a DO loop. Streams used in intrinsic
functions must appear on the SEQUENCE statement, even when no DO loops are
present.
CONSTANT i, j, value/ ...
The CONSTANT statement allows initialization of array “C”. These are values that remain
unchanged by any calculations in the procedure section. Note that integer values are
converted to floating-point numbers. The number of elements in this array may be defined
on the DIMENSION statement. Elements not defined on the CONSTANT statement have
large negative values.
i, j These positive integers denote the beginning and ending
element index in the CONSTANT array. When “j” is given,
all elements of array “C” between “i” and “j” assume the
specified value. If “j” is omitted, the single element
specified by “i” is used. When “i” is missing, the next
available element takes the specified value.
value The value stored in elements “i” through “j” of array C.
Note integer values are stored as floating-point numbers.
For example, to initialize elements 3 through 11 of array “C” to zero, use:
CONSTANT 3, 11, 0.0
DEFINE P(i) AS <unit type>=uid, <param>, {<op>, <ref>}
or
DEFINE P(i) AS STREAM=sid, <param>, {<op>, <ref>}
DEFINE allows retrieval of stream properties or unit operations parameter values from the
flowsheet, and stores them as elements of the “P” array. Each DEFINE statement
initializes a single element. The number of elements in the “P” array may be defined on
the DIMENSION statement.
The DEFINE statement has the standard DEFINE construct described in Section 10.5,
except the normal <parameter> entry is replaced by P(i). All stream <reference>
parameters shown in Table 10.3-2 A-B, and all unit operation <reference> parameters
shown in Table 10.3-3 A-H may be retrieved by the DEFINE statement.
RESULT i, text/...

The RESULT statement allows the user to supply descriptive labels for each
CALCULATOR result in array “R”. Labels may consist of up to 12 characters of text, but
must not contain the characters =/,( ) ∗ or &. Embedded blanks are acceptable.

METHOD SET=setid
operations.
Calculator Procedure (required)

The procedure section is required. It begins with a PROCEDURE statement and ends with
a RETURN statement.
Elements of the Language

Each statement contains a maximum of 80 characters. An ampersand (&) at the end of a
line indicates continuation on the following line. Note that an asterisk (∗) is not valid as a
continuation marker, since it signifies multiplication.
All lines of code except the PROCEDURE statement may be preceded by a unique
numeric label from 1 to 99999 (shown as “nn” in this manual).
A currency sign (“$” in the United States) causes all following data on the remainder of the
line to be interpreted as a comment rather than as code. Unlike FORTRAN, a “C” in
column one does not designate a comment statement.
Definitions of predefined variables, including default dimensions for arrays, appear in
Table 16.1-1. Use a DIMENSION statement in the CALCULATOR setup section to reset
the number of elements in each array.
Arrays C, P, V, and R store values in floating-point form. Array IX stores integer values.
Forms of use include:
An where “A” is any of C, P, V, R, or IX and n is an

integer indicating a single element of the array.
A(index) where A is any of C, P, V, R, or IX and (index) is
an expression, such as (IX2 5). The parenthesis
is required. “A(n)” denotes the same element as
“An”.
Instead of, or in addition to, the supplied V and IX arrays, standard FORTRAN variables
may be used. They may be up to 8 characters long and may not duplicate the names of
any supplied variables; otherwise they follow the conventional FORTRAN rules. The
introduction of this feature in PRO/II 5.0 means that the V and IX arrays need not be used.
If this is the case, they can be dimensioned to one word each, to save memory.

Array IS normally is used as the index of a DO loop to step through a sequence of
streams in the order defined on the SEQUENCE statement. It may serve as the stream
index in PRO/II intrinsic functions. The only form allowed is ISn. IS(index) is invalid in all
cases.
TABLE 16.1-1
PREDEFINED VARIABLES
Default
Variable name Dimension Description and Comments
and form (for arrays)
Cn or C(index) 1≤n≤50 Constant values defined in the setup section. Used only on the
right hand side of assignment statements
Pn or P(index) 1≤n≤50 Flowsheet parameters set by DEFINE statements. Used only on
the right hand side of assignment statements.
Vn or V(index) 1≤n≤200 A floating-point work array used on either the left or right hand
side of assignment statements. These elements are initialized to
a large negative value and are not available outside the
calculator.
Rn or R(index) 1≤n≤200 The array of calculator results, used on either side of assignment
statements. This results vector is available to other flowsheet
modules external to the CALCULATOR. These elements are
initialized to a large negative value.
IXn or 0≤n≤9 An array of integer values. The form “IX(index) is invalid on a DO
IX(index) statement. It may be used on either side of assignment
statements.
ISn 0≤n≤9 An array of elements used as indices of DO loops for stepping
through a series of streams in the order defined on the
SEQUENCE statement.
ISOLVE This variable indicates whether or not the CALCULATOR solved.
It is initialized to 0 upon each entry into the calculation procedure.
The user assigns all subsequent values using an assignment
statement.
0 The CALCULATOR has not yet executed (default) or has
solved successfully.
1 The CALCULATOR solved.
2 The CALCULATOR did not solve, but continue flowsheet
calculations within a recycle loop.
3 The CALCULATOR did not solve, all calculations stop
unconditionally.
4 The CALCULATOR solved; but stop all subsequent
flowsheet calculations. This sets the flowsheet solution flag
to ‘SOLVED’.
MAXC Total number of components in the problem.

MAXS Maximum number of streams in the problem.

FORTRAN Statements
PROCEDURE
This statement marks the start of the FORTRAN-based procedure section of the
CALCULATOR. It is required.
Declaration Statements
REAL rname1, rname2(i), rname3(j,k) ...
INTEGER iname1, iname2(i), iname3(j,k) ...
DIMENSION name1(i), name2(j,k) ...
These statements are used to define local scalars and arrays for use in the code. Each
subscript may be an integer constant, or two integer constants separated by a colon to
specify both the lower and upper array bounds. When defined by the DIMENSION
statement, variables assume the normal FORTRAN convention that assigns names
starting with I through N as integers, and all others as reals. Name lengths may be 8
characters long. Variables defined here may be changed in the code. Variables not
defined here are assumed to be real or integer according to the first character.
Variable names must not conflict with any reserved words or predefined variables (Table
16.1-1).
Examples:
DIMENSION A(20,20), B(20), X(20)
REAL MASS
INTEGER COUNT, TAB(100
REAL REVENU(1990:1995), PROFIT(1990:1995), LOSS(1990:1995)
A variable may only appear once on these statements. The following is valid in
standard FORTRAN, but not in the CALCULATOR:
REAL MOLWT
DIMENSION MOLWT(50)
Both standard FORTRAN and the CALCULATOR accept this equivalent form:
REAL MOLWT(50)
Assignment Statements
nn VARIABLE = expression
The “expression” is governed by standard FORTRAN conventions. The operations on a
given statement are executed in the following order:
1. Expressions within parentheses ( )
2. Functions
3. Exponential (**)

4. Multiplications and divisions (*,/)
5. Additions and subtractions (+,-)
With the exception of exponentiation, calculations with the same precedence are
evaluated from left to right. Multiple exponentiations without parentheses to explicitly
specify the evaluation the evaluation order are not permitted. For example, the following is
invalid:
BADVAL = A**B**C
The CALCULATOR supplied arrays C and P may not appear on the left side of an
assignment statement.

The following FORTRAN intrinsic functions can be used in expressions:
TABLE 16.1-2
FORTRAN INTRINSIC FUNCTIONS
Arguments
Function Description Number Type Type of
Result
ABS Absolute Value 1 real real
DIM Positive Difference 2 real real
EXP Exponential e 1 real real
INT Truncation 1 real integer
LOG Natural Logarithm 1 real real
LOG10 Common Logarithm 1 real real
MIN Minimum Value ≤2 real real
MAX Maximum Value ≤2 real real
MOD Remainder 2 real real
NINT Nearest integer 1 real integer
SQRT Square Root 1 real real
SIN Sine (radians) 1 real real
COS Cosine (radians) 1 real real
TAN Tangent (radians) 1 real real
ASIN Arc Sine (radians) 1 real radian
ACOS Arc Cosine (rad) 1 real radian
ATAN Arc Tangent (rad) 1 real real
SINH Hyperbolic Sine 1 real real
COSH Hyperbolic Cosine real real
TANH Hyperbolic Tangent 1 real real

Table 16.1-3 lists special functions that allow direct retrieval of stream and component
properties. In the table, “cno” represents an integer component number which is an integer
constant or variable, “sid” is a stream identifier or ISn value. This identifier must appear on

the SEQUENCE statement to be used by a PRO/II intrinsic function. Property values are
retrieved in the dimensional units used for problem input.
TABLE 16.1-3
PRO/II INTRINSIC FUNCTIONS
Function Description of Property
Pure Component Properties
CMW(cno) Molecular weight
CNBP(cno) Normal boiling temperature
CSPGR(cno) Specific gravity (60F/60F)
CTC(cno) Critical temperature
CPC(cno) Critical pressure
CVC(cno) Critical volume, cc/gm-mole
COMEGA(cno) Acentric factor
Properties of Components in Streams
SCMF(cno,sid) Molar fraction of component in stream
SCWF(cno,sid) Weight fraction of component in stream
SCVF(cno,sid) Standard liquid volume fraction
SCMR(cno,sid) Molar rate of component in stream
SCWR(cno,sid) Weight rate of component in stream
SCLVR(cno,sid) Standard liquid volume rate of component
SCGVR(cno,sid) Standard gas volume rate of component
Stream Properties
SMR(sid) Mole rate of stream
SWR(sid) Weight rate of stream
SLVR(sid) Standard liquid volume rate of stream
SGVR(sid) Standard gas volume rate of stream
STEMP(sid) Stream temperature
SPRES(sid) Stream pressure
Stream Property Storage Subroutines

nn CALL SRXSTR(type, value, sid)
A call to SRXSTR stores a CALCULATOR vector element as a property of stream “sid”.
Values being stored must be computed in the dimensional units used for data input. The
resulting stream is flashed at the new conditions to determine its thermodynamic state.
type This entry identifies the stream property to store.
Available options are listed in Table 16.1-4.

TABLE 16.1-4
STREAM PROPERTIES STORED BY SRXSTR
type= Description
SMR mole rate of stream
SWR weight rate of stream
SLVR standard liquid volume rate
SGVR standard gas volume rate of stream
STEMP stream temperature
SPRES stream pressure
value This argument supplies or identifies the value of the

property to store. It can be a real constant or
variable.
sid The sid entry identifies the stream in which to store
the property. It may be any stream identifier listed
on the SEQUENCE statement of the setup section,
or an element of array IS in the form ISn. For
example:
CALL SRXSTR(STEMP, R(14), SR4)
stores the value of element 14 from array “R” as the

temperature of stream SR4.
nn CALL SRVSTR(type, array, sid, i, j)
A call to SRVSTR stores a range of values representing component stream properties
from a CALCULATOR array into a stream. The resulting stream is flashed at the new
conditions to determine its thermodynamic state.
type This entry identifies the component property to store in
the stream. Available options are listed in Table 16.1-5.
TABLE 16.1-5
STREAM COMPONENT PROPERTIES STORED BY
SRVSTR
type= Description
SCMR molar rate of component in stream
SCWR weight rate of component in stream
SCLVR component standard of liquid volume rate
SCGVR ccomponent standard gas volume rate

array The initial element of a real CALCULATOR array
containing values to store as properties of
components in a stream.
sid The sid entry identifies the stream in which to store
the property. It may be any stream identifier listed on
the SEQUENCE statement of the setup section, or
an element of array IS in the form ISn.
i, j These two entries are component id numbers. They
indicate the first and last components, respectively,
for which the property is stored. For example:
100 CALL SRVSTR(SCWR, V(12), FD1, 2, 5 )
stores elements V(12) - V(15) as the weight flow
rates of components 2 - 5 in stream FD1. Stream
FD1 is re-flashed using the new composition with the
previous temperature and pressure.
Calculational Flow Control Statements

nn GOTO mm
This is the standard FORTRAN statement that branches to label mm unconditionally. “GO
TO” written as two words is also supported.
nn CONTINUE
This statement serves as a branch destination or the end of a DO loop. It performs no
calculations.
IF Statements
This statement allows logical branching during calculations and conforms to standard
FORTRAN rules for “IF” statements. If the parenthetic expression is true, it executes the
conditional clause. The conditional clause may not be one of the following:
REAL
INTEGER
DIMENSION
IF
ELSEIF
ELSE
ENDIF
DO
RETURN
Table 16.1-6 lists logical operators allowed in the expression.

TABLE 16.1-6
LOGICAL OPERATORS IN IF STATEMENTS
Operator Description
.EQ. equal to
.NE. not equal to
.LT. less than
.GT. greater than
.GE. greater than or equal to
.LE. less than or equal to
.AND. both true
.OR. either true
.EQV. equivalent
.NEQV. not equivalent
.NOT. true/false toggle
ELSE
ENDIF
These statements conform to standard FORTRAN IF-THEN-ELSE statements, allowing
for structured branching of code. “ELSE IF” and “END IF” written as two words are also
accepted. Block “IF” constructs may be nested.
DO Loops
nn DO mm iname= i, j, k
This statement defines the beginning of a DO loop having a range extending through
statement label mm. “i” and “j” are initial and final indices respectively. The increment step
“k” is optional and defaults to 1.
nn DO mm ISn= sid1, sid2
This statement defines the beginning of a stream DO loop having a range extending
through statement label mm. ISn is a stream variable, and sid1 and sid2 must be stream
ids appearing on the SEQUENCE statement. No incremental step index (comparable to
k) is allowed.
OPEN Statement
nn OPEN(FILE=fileide, ACCESS=OVERWRITE or APPEND)
The OPEN statement opens a file for CALCULATOR output. For PC, VAX, and UNIX
platforms, the default output name is fileid.CAL, where fileid is the current input file name.
A unique filename of up to 12 characters, can be specified, if necessary. However, it must
have a “.CAL” extension. Underscore characters are not allowed (e.g., FILE_01). Any
OPEN statement automatically closes the previously opened file.

WRITE and FORMAT Statements
nn WRITE (*, format) expression, expression, ...
T
nn FORMAT (item, item, ...)

T
These statements allow output using full FORTRAN format control. Output will be to the
file most recently opened with the OPEN statement. The WRITE statement list may
include constants, variables, expressions, or array names. Specifying an array name
causes all elements of the array to be written.
The WRITE statement refers to a FORMAT statement defining the output format. The
following standard FORTRAN format items are supported.
Format Items Function
nIw.d Output integer data
nFw.d, nEw.dEe, nDw.d, nGw.dEe Output real data
‘xxxxx’, nHxxxxx Output character constants
Tn, TLn, TRn, nX Tab control
kP Scale factor
S, SS, SP Control of sign output
/, : Line control
n(...) Grouping
OUTPUT Statement
nn OUTPUT {R( i : j ), P( i : j ), C( i : j ), V( i : j ), IX( i : j ), IS( i : j )}
This is a special output statement provided with PRO/II. It outputs calculator-supplied
arrays or portions of these arrays to the currently open file. Entries “i” and “j” refer to the
first and last elements of the array to be output. If they are absent, the entire array will be
output.
DISPLAY Statement
nn DISPLAY {R( i : j ), P( i : j ), C ( i : j ), V( i : j ), IX( i : j ), IS( i : j )}
The DISPLAY statement prints out calculator-supplied array values to the standard report
file during calculations. Entries “i” and “j” are defined in the same way as the OUTPUT
statement.
TRACE Statement
nn TRACE option
Trace statements control printing an historical trace as calculations proceed. This
facilitates debugging the code in the procedure. Options are:
ON Prints line number, statement number, and (action taken/new
variable value) as each statement executes.
BRANCH Prints TRACE information only for branching statements such as IF,
GOTO or DO.
OFF Turns off all TRACE options.

Example:
TRACE BRANCH (Traces branching only)
TRACE OFF (No trace at all)
TRACE ON (Traces every statement)
Calculation Termination Statements

nn STOP
This statement stops all flowsheet calculations and proceeds directly to the output report.
The solution flag for the entire flowsheet is set according to the user-defined value of
ISOLVE.
nn RETURN
The RETURN statement signals the end of the calculation procedure of the calculator and
must appear as the last statement in the procedure section. Only one RETURN statement
is allowed. The solution flag for the CALCULATOR is set according to the user-defined
value of ISOLVE.
Examples
1: Determination of Flash Point
Use Nelson’s method to estimate the flash point from D86 distillation characterization
data.
CALCULATOR UID=CL1,NAME=FLASH POINTS
$
$ THIS UNIT CALCULATES THE FLASH POINTS OF
$ STREAMS V1, V2, V3, V4, V5, AND V6 USING
$ THE FORMULA:
$ FP= 0.64 * (D86(10)+D86(IP))/2.0 - 100.0
$ WHERE THE D86 POINTS ARE IN DEG F.
$ THE FINAL RESULTS IN DEG C ARE STORED
$ IN R(1) THROUGH R(6). METHOD FROM NELSON.
$
$ SETUP SECTION - RETRIEVE PARAMETERS
$
DEFINE P(1), AS, STREAM=V1, D86(10)
DEFINE P(2), AS, STREAM=V1, D86(IP)
DEFINE P(3), AS, STREAM =V2, D86(10)
DEFINE P(4), AS, STREAM =V2, D86(IP)
$

$
$ PROCEDURE SECTION - METHOD OF NELSON
$
PROCEDURE
DIMENSION D8610(6), D86IP(6)
DO 10 I = 1, 6
$
$ COPY PARAMETERS TO LOCAL ARRAYS,
$ CONVERTING TO DEG F
$
D8610(I) = P(2*I-1) * 1.8 + 32.
D86IP(I) = P(2*I-1) * 1.8 + 32.
$
$ EVALUATE FORMULA
$
D86AVG = (D8610(I) + D86IP(I)) / 2.
FP = (D86AVG * .64 - 100.
$
$ CONVERT BACK TO DEG C AND STORE
$
R(I) = (FP - 32.) / 1.8
10 CONTINUE
RETURN
2: Material Balancing With the Calculator

Compute the material balance of hydrogen (component 2) about a recycle loop. If the
balance is not met to within 0.1% based on the overall feeds, set the solution flag to
indicate “unit not solved.” This forces the recycle to continue iterating, even if the flowing
streams have changed less than the flowsheet stream tolerance.
CALCULATOR UID=CL2
$
$ SETUP SECTION -SET UP FEEDS AND PRODUCT STREAM
$ LABELS ON SEQUENCE STATEMENT, AND LABEL RESULT 1.
$
SEQUENCE STREAM=H2FD, FD1, FD2, PURG, PRDV, PRDL
RESULT 1, RELATIVE MB
$
$ PROCEDURE SECTION
$
PROCEDURE
$
$ SUM UP H2 IN FEED
$
H2FEED = 0.
DO 10 IS1 = H2FD, FD2
H2FEED = H2FEED + SCMR(2,IS1)
10 CONTINUE
$
$ CHECK IF ANY H2 IN FEED. IF NOT, SET NOT SOLVED FLAG.
$
IF (H2FEED .LT. 0.0001) THEN
R(1) = O
ISOLVE = 2
GO TO 99
ENDIF

$
$ SUM UP H2 IN PRODUCTS
$
H2PROD = 0.
DO 20 IS1 = PURG, PRDL
H2PROD = H2PROD + SCMR(2, IS1)
20 CONTINUE
$
$ CALCULATE IMBALANCE
$
R(1) = (H2FEED - H2PROD) / H2FEED
$
$ CHECK IF IN BALANCE. IF SO, RETURN.
$ IF NOT, SET NOT SOLVED FLAG.
$
IF(ABS(R(1)) .LE. 0.001) THEN
ISOLVE = 1
ELSE
ISOLVE = 2
ENDIF
$
99 RETURN


16.2 – STREAM
U
CALCULATOR
Keyword Summary
STCALC UID=uid, {NAME=text}
Feeds and Feed Blending (conditional)

The FEED statement is required when using the OVHD and BTMS statements. It is
optional if only a PROD statement is present.
FEED {sid, 1.0/ ...}
Stream Splitting Products (optional)

The OVHD and BTMS statements are both required for stream splitting.
OVHD V=sid or L=sid ,{W=sid, S=sid},
or
or
{PRES(unit)=value or DP(unit)=0.0},
{TEMP(unit)=value or DT(unit)=value or
DEWT or BUBT or
DTAD(unit)=value or DTBB(unit)=value},
{TEST(unit)=value}
and
BTMS V=sid or L=sid ,{W=sid, S=sid},
or
or
DEWT or BUBT or
Stream Splitting Specifications (conditional)

Chapter 16.2 STREAM CALCULATOR 697

At least one specification statement is required for stream splitting.
Fraction based on feed:
FOVHD i, j, value/ ...
FBTMS i, j, value/ ...
Actual rate:
ROVHD (basis, unit) i, j, value/ ...
RBTMS (basis, unit) i, j, value/ ...
Actual composition:
XOVHD(basis) i, j, value/ ...
XBTMS(basis) i, j, value/ ...
Stream Synthesis Products (optional)

The PROD statement is required only for stream synthesis.
PROD V=sid or L=sid ,{W=sid, S=sid},
or
or
DEWT or BUBT or
{TEST(unit)=value}
Stream Synthesis Specifications (conditional)

At least one specification statement is required for stream synthesis.
FPROD i, j, value/ ...
Actual rate:
RPROD (basis, unit) i, j, value/ ...
Actual composition:
XPROD (basis) i, j, value/ ...

OPERATION STOP=ZERO, DUTY=0.0

or
Valid <param> entries are given in Table 16.2-2.

METHOD SET=setid
General Information
The STream CALCulator (STCALC) is a general purpose utility module that provides three
distinct modes of stream manipulation: feed blending, stream splitting, and stream
synthesis. All three modes of operation may appear in a single stream calculator module.
Input requirements are listed in Table 16.2-1.
The feed blending mode allows an unlimited number of feed streams to be combined in
any proportion. Feed streams may be added to or subtracted from each other using
arbitrary co-factors to form a blended feed having the desired composition.
The stream splitting mode of operation allows the splitting of the components in the
resulting feed blend into overhead and bottom products specified by simple splitting rules.
In this mode, feed streams must be declared using the FEED statement. The OVHD and
BTMS statements together define the desired products, and the FOVHD, FBTMS,
ROVHD, RBTMS, XOVHD, and XBTMS statements supply the splitting rules. The
products must satisfy the material balance required by the composition and rate of the
combined feed. The full thermodynamic state may be defined on the OVHD and/or BTMS
statement for their respective products. If the thermal conditions are not given, the
product thermodynamic states are calculated by enthalpy balance such that the
temperatures are equal.
The stream synthesis mode of operation provides the ability to create composite product
streams of any composition and thermodynamic state. In this mode, the PROD statement
identifies the product streams and defines the thermodynamic state. The FPROD,
RPROD, and XPROD statements specify the composition of the products. Feed streams
are allowed, but not required. When no feed streams are declared, the products are
generated totally independent of material balance considerations.

TABLE 16.2-1
STREAM CALCULATOR INPUT REQUIREMENTS
Stream Stream Synthesis Stream
Statement Separation 1 Separation &
No feeds P P With feeds Synthesis
STCALC required required required required
FEED required optional required required
OVHD required invalid invalid required
and
BTMS
ROVHD one invalid invalid one
RBTMS or more or more
FOVHD required required
FBTMS
XOVHD
XBTMS
PROD invalid required required required
RPROD required one one
XPROD invalid or more or more
required required
FPROD invalid
OPERATION optional optional optional optional
DEFINE
METHODS
1 No feed option is functionally equivalent to defining a stream on the PROPERTY statement.
Input Description
The STCALC statement is required as the first statement of each Stream Calculator
module. All entries on it are general to all unit operations. Refer to Chapter 11 for
descriptions of their use.

Feed Blending (conditional)
FEED {sid, 1.0/ ...}
The FEED statement is required when using OVHD and BTMS statements, but is optional
if only a PROD statement is present. An unlimited number of feeds are allowed. Feed
blending may be accomplished by supplying a scaling factor associated with each feed.
For example, suppose the following compositions and FEED statements are given for
three feed streams FD1, FD2, and FD3:
RATE (MOLES/HR)
Component FD1 FD2 FD3
methane 121.2 26.5 79.2
ethane 321.3 101.4 55.0
propane 41.1 99.1 101.2
FEED FD1, 0.5 / FD2, 0.6 / FD3, 0.7

The resulting composition and enthalpy are computed from:
methane 0.5(121.2) + 0.6(26.5) + 0.7(79.2) = 131.94 moles/hr
ethane 0.5(321.3) + 0.6(101.4) + 0.7(55.0) = 259.99 moles/hr
propane 0.5(41.1) + 0.6(99.1) + 0.7(101.2) = 150.85 moles/hr
enthalpy 0.5(HFD1) + 0.6(HFD2 )+ 0.7(HFD3 )= Hfeed moles/hr
An adiabatic flash determines the thermal condition of the composite feed. The stream
scaling factors may be of any magnitude, greater or less than unity, positive or negative.
If any composite feed component flow is negative, an adjustment is made according to the
STOP entry on the OPERATION statement. The feed condition then is calculated by a
mole weighted average blend of the individual feed stream temperatures.
Stream Splitting Products (optional)

OVHD V=sid or L=sid ,{W=sid, S=sid},
or
or
DEWT or BUBT or
{TEST(unit)=value}
If stream splitting is desired, both the OVHD and BTMS statements are required to identify
the two product streams and define the thermodynamic state of each. The total flows of

both streams sum to the composite feed rate defined by the FEED statement. Each
product may be a single stream or may be flashed into its constituent vapor, liquid, water,
and/or solid phases.
V, These keywords define the phase of each product stream:

L, V for vapor, L for liquid, or M for mixed phase. If only one
or product is specified, the correct phase is determined and
M overrides the phase implied by V, L, or M.
included in the liquid product. The VLLE thermodynamic
option is not valid for the STCALC module.
stream designated by S. If S is not given, all solids will
PRES PRES is the outlet pressure for OVHD or PROD product
or streams. Alternatively, DP is the pressure drop measured
DP from the feed with the lowest pressure. The default DP is
0.0.
TEST An estimated temperature for the product. In a few cases,
this entry may reduce the computation time. It is not
allowed when specifying either TEMP or DT.
DEWT These entries specify that the product is at its dew point or
or bubble point temperature.
BUBT
or
TEMP TEMP is the outlet temperature for OVHD or BTMS
or product. Alternatively, DT is the temperature increase
DT measured from the combined feed temperature. A default
or value is calculated from the heat balance (see the
OPERATIONS statement described below).
DTBB The temperature increment below the bubble point
or temperature or above the dew point temperature,
DTAD respectively.
Stream Splitting Specifications (conditional)

Splitting specifications are required when OVHD and BTMS statements are present. Each
component must be specified exactly once.
FOVHD i, j, value/ ...
FBTMS i, j, value/ ...

The fraction of component “i” through “j” of the feed leaving with the overhead and bottom
products, respectively.
Actual rate:
ROVHD (basis, unit) i, j, value/ ...
RBTMS (basis, unit) i, j, value/ ...
The actual flowing rate of component “i” through “j” in the overhead and bottom products,
respectively. Allowable bases are M (mole, default), W (weight), LV (standard liquid
volume), and GV (standard vapor volume).
Actual composition:
XOVHD(basis) i, j, value/ ...
XBTMS(basis) i, j, value/ ...
The fractional composition of components “i” through “j” in the overhead and bottom
products, respectively. Allowable bases are M (mole, default), W (weight), LV (standard
liquid volume), and GV (standard vapor volume).
i, j Entries “i” and “j” are component ID numbers,

indicating the first and last components,
respectively, associated with the supplied splitting
value. Supplying both “i” and “j” defines a group of
components, and the value refers to the
composition of all the components combined. Each
component will have an equal fraction of the range
according to the given basis. If “j” is omitted, it
defaults to “i”, indicating a single component. If “i”
is omitted, it defaults to the first available
(unspecified) component. For example:
XOVHD(WT) 1, 3, 0.6
FBTMS 4, 100.1/8.05
Components 1,2 and 3 together comprise 60
weight percent of the overhead (20 weight percent
each). 100.1 moles of component 4 and 8.05
moles of component 5 go out the bottom.
Stream Synthesis Products (optional)

The PROD statement is required only for stream synthesis.
PROD V=sid or L=sid ,{W=sid, S=sid},
or
or

DEWT or BUBT or
{TEST(unit)=value}
When a single synthesized product is desired, the PROD statement is required. This
statement identifies the synthesized product stream and defines its thermodynamic state.
Each product may be a single stream or may be flashed into its constituent vapor, liquid,
water and/or solid phases. Product splitting and product synthesis may both occur in the
same STCALC module.
V, L These keywords define the phase of each product stream:
or V for vapor, L for liquid, or M for mixed phase. If only one
overrides the phase implied by V, L, or M.
included in the liquid product. The VLLE thermodynamic
option is not valid for the STCALC module.
S For systems with solids, the solids may be separated into
a stream designated by S. If S is not given, all solids will
PRES PRES is the outlet pressure for the product stream.
or Alternatively, DP is the pressure drop measured from the
DP feed with the lowest pressure. When no FEED statement
is present, the PRES entry is required. When the feed
statement is present, the default DP is 0.0.
TEST An estimated temperature for the product. In a few cases,
this entry may reduce the computation time. It is not
allowed when specifying entries TEMP or DT.
DEWT These entries set the product to the dew point or bubble
or point temperature. When no FEED statement is present,
BUBT one of the TEMP, DEWT, BUBT, DTAD, or DTBB entries
or is required. In this case, DT is invalid.
TEMP TEMP is the outlet temperature for the product stream.
or Alternatively, DT is the temperature increase measured
DT from the combined feed temperature. When the FEED
or statement is present, the default DT is 0.0.
DTBB These entries specify the temperature increment below
or the bubble point or above the dew point temperature,
DTAD respectively, for the product.

Stream Synthesis Specifications (conditional)
At least one of the following specification statements is required when a PROD statement
is present. Every component must be specified exactly once.
FPROD i, j, value/ ...
The fraction of components “i” through “j” in the feed which is contained in the synthesized
stream. “value” may be any non-negative number, including values greater than 1.0.
FPROD may be used only when the FEED statement is present.
RPROD (basis, unit) i, j, value/ ...
The actual total flowing rate of components “i” through “j” in the synthesized product. For
example, if the total rate for components 1 through 4 is given as 1.0, each component will
have a rate of 0.25. Allowable bases are M (mole, default), W (weight), LV (standard
liquid volume) and GV (standard vapor volume).
XPROD (basis) i, j, value/ ...
The fractional composition of components “i” through “j” in the synthesized product.
Allowable bases are M (mole, default), W (weight), LV (standard liquid volume) and GV
(standard vapor volume). XPROD may only be used when the FEED statement is present.
i, j Entries “i” and “j” are component ID numbers,

indicating the first and last components,
respectively, associated with the supplied synthesis
value. Supplying both “i” and “j” defines a group of
components, and the “value” refers to the
composition of all the components combined. Each
component will have an equal fraction of the range
according to the given basis. If “j” is omitted, it
defaults to “i”, indicating a single component. If “i” is
omitted, it defaults to the first available (unspecified)
component. Refer to Example 16.2-1.

OPERATION STOP=ZERO, DUTY=0.0
The OPERATION statement controls negative composition handling for the composite
feed and overall heat balance.
STOP This entry sets the error handling flag. Available options are
defined below.
ZERO Reset any negative component rates in the
composite feed to zero. If specified
component rates are greater than those in
the composite feed, reset the component
rates in either the OVHD or BTMS
(whichever is specified) to the limiting feed
rate, and set the component rate in the
other stream to zero. If a specification is

impossible, set it to the limiting value. Set
the unit solution flag to “solved”. This is
the default.
ABSO Set the rates of negative components in
the feed to their absolute value. When
product splitting specifies component flow
rates greater than those in the composite
feed, reset those rates in either the OVHD
or BTMS (whichever is specified) to the
limiting feed rate, and set the component
rate in the other stream to zero. If a
specification is impossible, set it to the
limiting value. Set the unit solution flag to
“solved”.
FAIL Negative compositions or impossible

specifications set the unit solution flag to
“not solved”. Within a recycle environment,
three consecutive failures are allowed
before termination. If “INTERACTIVE” is
active, control reverts to the interactive
command line.
DUTY The overall heat supplied to the separation device as measured
by enthalpy balance around all the feeds and separated
products. This is used only if temperature is not specified in
some way on both the OVHD or BTMS products. If the thermal
conditions are supplied for both products, then this entry is
ignored and a warning message is issued. If thermal conditions
for neither product are supplied, then both products leave the
separation device at the same temperature required to satisfy
the heat balance. The streams generated by the PROD
statement are not considered for the heat balance.

or
Valid <param> entries are given in Table 16.2-2.

TABLE 16.2-2
VALID DEFINE <PARAM> ENTRIES
TEMP(prno,unit)1 P P FBTMS(idno,basis)
PRES(prno,unit) FPROD(idno,basis)
DT(prno,unit) ROVHD(idno,basis)
DTBB(prno, unit) RBTMS(idno,basis)
DTAD(prno, unit) RPROD(idno,basis)
DP(prno, unit) XOVHD(idno,basis)
FACTOR(fdno) XBTMS(idno,basis)
DUTY(unit,basis) XPROD(idno,basis)
2
FOVHD(idno,basis) P P
1 ‘prno’ refers to product numbers: OVHD=1, BTMS=2, PROD=3

2 ‘idno’ refers to spec value in sequence given on the FOVHD (or FBTMS,
etc.) statement.

METHOD SET=setid
When two or more thermodynamic method sets appear in the problem, the METHODS
operations.
Examples
1: Component separation with net duty.
Split feed stream 5 into streams 6 and 7. Stream 6 has a pressure drop of 5 input
pressure units and a temperature drop of 10 degrees. Stream 7 has an increase of 5 input
pressure units and a temperature determined by enthalpy balance with a heat gain of 0.5
million input duty units. Specify a split such that 95% of component 1, 93% of component
2, and 70% of each of components 3 and 4 go to the overhead. Components 5 through 9
each contribute 24 (120 divided by 5 components) standard liquid volume units to the
bottoms, while 100 input weight units of component 10 exit in the overhead product.
STCALC UID=M1, NAME=SYN-FEED
FEED 5
OVHD M=6, DP=5, DT=-10
BTMS M=7, DP=-5
FOVHD 0.95 / .93 / 3, 4, .7
RBTMS(LV) 5, 9, 120
ROVHD(WT) 10, 100
OPERATION DUTY=0.5

2: Stream synthesis.
Create stream SY1 at 100 C, 200 KPa, with a flowrate of 42.1 Kg/hr for component 1, and
0.5 Kg/hr for component 2. All other components have a rate of zero.
STCALC UID=SYN, NAME=FD SYN
PROD M=SY1, TEMP(C)=100, PRES(KPA)=200
RPROD(WT,KG/HR) 1, 42.1 / 2, 0.5 / 3, 20, 0.0
3: Combination feed synthesis and component splitter.

Synthesize feed stream FD as the sum of 50% of stream C3A, 100% of stream C3B, and
subtract from that 20% of stream C3C. Set the temperature of stream FD to 100. The
overhead has a 2 pressure unit drop from the lowest pressured feed and is at bubble
point. The synthesized product pressure is set to the same pressure as stream C3A. The
overhead is 99% pure propylene on a mole basis, and the bottoms contains 97% of the
propane in the feed.
STCALC UID=ST-1, NAME=C3SPLIT
FEED C3A, 0.5 / C3B, 1.0 / C3C, -.2
OVHD M=PPYN, DP=2, BUBT
BTMS M=PPAN, DP=-3,
PROD M=FD, TEMP=100
XOVHD 1, 0.99
XBTMS 2, 0.97
FPROD 1, 2, 1.0
DEFINE PRES(3,KPA) as STREAM=C3A, PRES

16.3 – HEATING-
U
COOLING CURVES
Keyword Summary
HCURVE UID=uid, {NAME=text} {PLOT}
Evaluation Conditions (required)

Equal temperature increment curves:
ISOTHERMAL STREAM=sid,
DT(unit)=0.0 or TEMP(unit)=value, value,
DP(unit)=0.0 or PRES(unit)=value, value,
or
HX=uid, HOT or COLD,
or
HXRIG=uid, SHELL or TUBE,
or
LNGHX=uid, CELL=i,
or
COLUMN=uid, or SIDESTRIPPER=uid,
HEAT=i or COOL=i,
{PRES(unit)=value,value},
or
FLASH=uid,
POINTS=11, {GAMMA, KPRINT}

Equal enthalpy increment curves:
ADIABATIC STREAM=sid,
DUTY(unit)=value,
or
HX=uid, HOT or COLD,
or
HXRIG=uid, SHELL or TUBE,
or
LNGHX=uid, CELL=i,
or

Chapter 16.3 HEATING-COOLING CURVES 709

HEAT=i or COOL=i,
or
FLASH=uid,

Bubble point curves:
BUBT STREAM=sid,
DP(unit)=value or PRES(unit)=value, value,
POINTS=11, {TEST(unit)=value, GAMMA, KPRINT}
or
BUBP STREAM=sid,
DT(unit)=value or TEMP(unit)=value, value,
POINTS=11, {PEST(unit)=value, GAMMA, KPRINT}
Dew point curves:
DEWT STREAM=sid,
DP(unit)=value or PRES(unit)=value, value,
POINTS=11, {TEST(unit)=value, GAMMA, KPRINT}
or
DEWP STREAM=sid,
DT(unit)=value or TEMP(unit)=value, value,
POINTS=11, {PEST(unit)=value, GAMMA, KPRINT}

PROPERTY GENERAL, THERMO, TRANSPORT,
CRITICAL, PETROLEUM, ALL, SUMMARY

METHODS SET=setid
General Information
The HCURVE module generates heating or cooling curves for any process stream in the
flowsheet, including internal unit operation streams that undergo heating or cooling.
Optionally, HCURVE generates additional curves including physical, critical,
thermodynamic, transport, and petroleum properties.
The generated curves represent a composite of equilibrium flash calculations. If the first
and last points are not defined by the user, they are taken from the stream or unit
operation data.
Flash curves are selected by using the ISO and ADIA statements. ISO curves generate
points using equal temperature and pressure increments, while ADIA curves use equal
enthalpy and pressure increments. ISO curves require less computer time, but ADIA

calculations usually yield a better representation of curves that include an inflection point,
such as at a phase boundary.
Input Description
HCURVE UID=uid, {NAME=text}, {PLOT}
All entries on the HCURVE statement are general to all unit operations. Refer to Section
10.2 for a description of their use. The PLOT entry may be used to request a plot for a
phase diagram. Only one pair of bubble point (BUBT or BUBP) and dew point (DEWT or
DEWP) curves will be plotted per HCURVE unit. Points which fail during calculations will
be omitted from plots.

Equal temperature increment curves:
ISOTHERMAL STREAM=sid,
or
ADIABATIC STREAM=sid,
DUTY(unit)=value,
or
ISOTHERMAL HX=uid, HOT or COLD,
or
ADIABATIC HXRIG=uid, SHELL or TUBE,
or
LNGHX=uid, CELL=i,
or
HEAT=i, or COOL=i,
or
FLASH= uid,

or
BUBT or STREAM=sid,
BUBP or DT(unit)=0.0 or TEMP(unit)=value, value,
DEWT or DP(unit)=0.0 or PRES(unit)=value, value,
DEWP POINTS=11, {GAMMA, KPRINT},
{TEST(unit)=value or PEST(unit)=value}

A maximum of 99 heating/cooling curves may be defined within any HCURVE unit
operation. Individual ISO, ADIA, BUBT, BUBP, DEWT and DEWP statements may be
included in any order.
ISOTHERMAL Each curve is constructed from a series of flashes at equal
temperature and pressure increments. Additional points are
reported if phase boundaries are crossed.
ADIABATIC Each curve is constructed from a series of flashes at equal
enthalpy and pressure increments. Additional points are reported
if phase boundaries are crossed.
BUBT Each curve is constructed from a series of bubble point
temperature calculations at equal pressure increments.
BUBP Each curve is constructed from a series of bubble point pressure
calculations at equal temperature increments.
DEWT Each curve is constructed from a series of dew point
temperature calculations at equal pressure increments.
DEWP Each curve is constructed from a series of dew point pressure
calculations at equal temperature increments.
STREAM This entry is required to specify a single stream label identifying
the stream for the heating/cooling curve. Multiple streams are not
allowed in a single curve.
or One of these entries may be used to supply a single unit
HX or operation identifier. The heating/cooling curve is evaluated on a
HXRIG or stream internal to this unit operation, as identified with the
LNGHX or following entries.
COLUMN or
SIDE or
FLASH i
HOT These entries are used only with the HX entry to select either the
or hot or cold side of the heat exchanger for evaluation. The feed
COLD and product streams define the thermal conditions at the
beginning and end points on the curve.
SHELL These entries are used only with the HXRIG entry to select either
or the shell or tube side of the heat exchanger for evaluation. The
TUBE feed and product streams define the thermal conditions at the
beginning and end points on the curve.
CELL=i The CELL entry is used only with the LNGHX entry to identify the
cell number of the LNG heat exchanger. The feed and product
streams define the thermal conditions of the beginning and end
points on the curve. The argument “i” is the assigned CELL
number.
HEAT=i Used with either the COLUMN or SIDE entry to identify the
or heater (or cooler) number in the column. The HEAT and COOL
COOL= keywords are equivalent, and may be used interchangeably.

The “i” argument is the assigned HEATER/COOLER number.
The first flash point on the curve is thermally defined by the
thermodynamic state of the process stream in the column. For a
condenser, this is the overhead vapor entering the condenser.
For a reboiler represented by a heater on bottom tray, this is the
bottom product. For a pumparound, this is the liquid or vapor on
the “FROM” tray.
The last flash point on the curve is thermally defined by the duty
on the heater/cooler calculated in the column solution. The
pressure is set at the return tray pressure for pumparounds or by
DP=0.0 for the condenser and reboiler.
TEMP=a,b The TEMP entry defines the beginning and ending temperatures
for the heating or cooling curve. The TEMP keyword is not valid
with any unit operation entries (HX, HXRIG, LNGHX, COLUMN,
SIDE, or FLASH), since the thermal conditions are defined by
the unit operations. TEMP is not valid with DT or DUTY.
Argument “a” represents the beginning temperature, while “b” is
the endpoint temperature of the curve. If “b” is not given, it
defaults to “a” (constant temperature). Specifying argument “a” is
mandatory.
or The DT entry defines the temperature increment between
DT flashes on the heating/cooling curve. Positive values indicate
temperature increase. DT is valid only on ISO, BUBP, and
DEWP statements. DT is not valid with any unit operation entries
(HX, HXRIG, LNGHX, COLUMN, SIDE, or FLASH), since the
thermal conditions are defined by the unit operations. DT cannot
be used with TEMP or DUTY.
or DUTY defines the enthalpy difference between the final and
DUTY=a initial points of the heating or cooling curve. DUTY is not valid
with any unit operation entries (HX, HXRIG, LNGHX, COLUMN,
SIDE, or FLASH), since the endpoint conditions are defined by
the unit operations. Using DUTY excludes using the TEMP and
DT entries.
When COLUMN or SIDE is active, DUTY does not refer to the duty id of the
column. Use the HEAT/COOL keyword instead.
PRES=a,b Argument “a” is the beginning pressure and “b” is the ending
pressure for the heating/cooling curve. The PRES keyword is not
valid with any of the following unit operation entries HX, HXRIG,
LNGHX or FLASH, since pressure conditions are defined by the
unit operations. The PRES keyword is valid with the COLUMN
and SIDE unit operations, enabling modeling of pumped reboiler
circuits.
PRES also is not valid with the DP keyword. If “b” is not given, it

defaults to “a” (constant pressure). If “a” is not given, it defaults
to the stream pressure.
or DP is the pressure increment between flashes on the

DP heating/cooling curve. Positive values indicate pressure
increase. The DP keyword is valid only on ISO, ADIA, BUBT,
and DEWT statements. DP is not valid with unit operation entries
(HX, HXRIG, LNGHX, COLUMN, SIDE, or FLASH), since the
pressure conditions are defined within the unit operations. DP
excludes the PRES entry.
POINTS This entry supplies the number of flash calculations performed to
construct the heating/cooling curve. The number of points is
always one greater than the number of increments. Thus, the
default of 11 points implies 10 equal increments. Flashes
performed to cross phase boundaries may generate additional
points.
GAMMA Presence of the GAMMA keyword requests a report of liquid
activity coefficients, vapor fugacity coefficients and Poynting
correction factors for each flash point. GAMMA is valid only
when used with liquid activity coefficient methods.
KPRINT This requests a report of K-values for each flash point.
TEST TEST allows supplying an estimate of temperature for the first
flash point in the curve. It is allowed only for bubble point or dew
point temperature calculations, but is used rarely.
PEST PEST supplies an estimate of pressure for the first flash point in
the curve. It is allowed only for bubble point or dew point
pressure calculations, but is used rarely.

PROPERTY GENERAL, THERMO, TRANSPORT,
CRITICAL, PETROLEUM, ALL, SUMMARY
Entries on the PROPERTY statement select various output reports for every
heating/cooling curve in the HCURVE module. Table 16.3-1 lists the properties available
for each option.

TABLE 16.3-1
PROPERTY STATEMENT PRINTOUT OPTIONS
KEYWORD PROPERTY TOTAL VAPOR LIQUID
OPTION STREAM PHASE PHASE
printed by temperature X
default pressure X
molar flow rate X X
flowing enthalpy X X X
weight flow rate X X
molecular weight X X
entropy (per mole) X X X
GENERAL molecular weight X
actual density X X
standard volume flow X
Z factor X
specific gravity X X
THERMO flowing entropy X
enthalpy (per weight) X X X
ideal heat capacity X
heat capacity X X
entropy (per weight) X X
latent heat X
TRANSPORT viscosity X X
thermal conductivity X X
surface tension X
CRITICAL Pseudo-critical
temperature X X
pressure X X
Z factor X X
PETROLEUM API gravity X X
Watson K X X
MABP temperature X X
ALL Selects all options above
SUMMARY total molar flow X
temperature X
pressure X
mole fraction vapor X
weight fraction vapor X
flowing enthalpy X
The “SUMMARY” option is a special summary printout. When selected by itself, the
default printout is suppressed. When any other print option is selected, the default printout
is included.

METHOD SET=setid
operations.
Examples
1: Use a single HCURVE module to perform the following calculations:
Use isothermal increments to flash stream 1 over the range (P,T) = (200,100) to (P,T) =
(300,400). Use a temperature increment of 15 degrees and a pressure increment of 5
pressure units to generate 21 points.
Perform adiabatic flashes on stream 2 using a pressure increment of 0.5 pressure units.
Divide the overall flowing enthalpy increase of 5 million energy units into 10 equal
increments, which requires 11 points.
Flash stream 3 eleven times in the range from 100 to 200 pressure units to obtain the
bubble point temperature at each point.
Flash stream 4 eleven times to obtain a dew point pressure curve. Starting at its feed
conditions, and increase temperature in increments of 20 degrees.
Flash heater/cooler number 1 (usually the condenser) of distillation column C1 eleven
times using constant enthalpy increments.
Request reports of thermodynamic and petroleum properties.
HCURVE UID=HC1, NAME=HCURVE 1
ISOTHERMAL STREAM=1,TEMP=100, 400, PRES=200, 300,
POINTS=21
ADIA STREAM=2, DP=0.5, DUTY=5
BUBT STREAM=3, PRES=100, 200
DEWP STREAM=4, DT=20
ADIA COLUMN=C1, HEAT=1
PROPERTY THERMO, PETROLEUM
2: Generate an isothermal HCURVE for a stream created by a unit operation:
FLASH UID=FL1
FEED 1,2
PROD M=MIX
ISO TEMP=80, PRES=14.696
HCURVE UID=HC1
ISO FLASH=FL

16.4 – PHASE
U
ENVELOPE
Keyword Summary
PHASE UID=uid, {NAME=text} {PLOT}

EVALUATE STREAM=sid, {LFRAC=value},
{POINTS=value and DP(unit)=value and
IPRES(PSIA)=147.0},
{IPLOT=ON or OFF, CPLOT=n}
U U
VERSION=V5 or V4 U U
PSTART(unit)= value
(Default for V5 PSTART(ATM)=1,
V4 PSTART(ATM)=10)
General Information
The PHASE module generates phase envelopes for multi-component streams using the
Peng-Robinson (PR) or Soave-Redlich-Kwong (SRK) equations of state and their
derivatives (i.e., PRm, PRP, PRS, SRKM, SRKP, SRKS). Supplying a value for the
optional LFRAC entry generates a curve of constant liquid mole fraction (L/F). Each
EVALUATE statement calculates a separate phase envelope or liquid fraction curve. A
maximum of five EVALUATE statements may appear in each PHASE module.
The true critical point, cricondentherm, cricondenbar, and other points on the envelope are
determined with the Michelsen method. The PHASE module always treats water as a
regular component, regardless of the declared state of water immiscibility. Note that
systems containing more than one mole percent hydrogen usually are not totally
condensable, so bubble points may not be possible. Among others, helium and nitrogen
often cause the same problem. Results of bubble point calculations for streams containing
high percentages of these components should be reviewed carefully.
An optional report of the results of each curve is available by supplying the POINTS, DP,
and IPRES entries. These points are supplemental to the normal phase diagram.
For VERSION=V4, the phase envelope is limited to systems of less than 50

components.

Chapter 16.4 PHASE ENVELOPE 717

Input Description
PHASE UID=uid, {NAME=text} {PLOT}
All entries on the PHASE statement are general to all unit operations. Refer to Section
10.2 for a description of their use.

EVALUATE STREAM=sid, {LFRAC=value},
{POINTS=value and DP(unit)=value and
IPRES(PSIA)=147.0},
{IPLOT=ON or OFF, CPLOT=n}
U U
VERSION=V5 or V4 U U
PSTART(unit)= value
(Default for V5 PSTART(ATM)=1,
V4 PSTART(ATM)=10)
Each EVALUATE statement defines a single curve. A minimum of one and a maximum of
five EVALUATE statements are permitted in one PHASE module.
STREAM This entry identifies the stream for which the curve is
generated.
LFRAC LFRAC requests the generation of a curve of constant liquid
mole fraction. The value of the entry must be between 0.0 and
1.0.
POINTS Supplying values for both the POINTS and DP entries requests
and generation of a supplemental report with that number of
DP POINTS spaced DP pressure units apart.
and IPRES is the initial pressure value for the supplemental report
IPRES generated when both the POINTS and DP entries are supplied.
IPLOT This keyword specifies an individual plot containing the phase
diagram for the stream specified on the EVALUATE statement.
ON This option specifies that the individual plot be generated.
This is the default.
OFF This option turns off the individual plot feature.
CPLOT This keyword specifies that a combination plot be generated for
all the streams provided on the EVALUATE statement(s). An
optional number “n” (any number from 1 to 9) may be provided
for labeling each curve. If a number is not provided, PRO/II
provides a default numbering scheme when the comparison
plot is produced.
A CPLOT keyword must be supplied via the

EVALUATE statement for every stream that is to be included on
the comparison plot.

VERSION This keyword specifies the type of algorithm. V5 is for the
PRO/II VERSION 5 algorithm. V4 is for the PRO/II VERSION 4
algorithm. VERSION 5 allows the following thermodynamic
methods: SRK, SRKM, SRKS, SRKH, SRKP, PR, PRM, PRS,
PRH, and PRP. VERSION 4 allows the following
thermodynamic methods: SRK, and PR.
PSTART Starting pressure for the calculation.

METHOD SET=setid
operations. Note that only PR or SRK thermodynamic generators are valid for the Phase
Envelope unit operation.
Examples
1: Phase Envelope of a Natural Gas Stream
Calculate the phase envelope of a natural gas stream, and evaluate the curves of
constant liquid fraction for L/F=0.01 and L/F=0.025.
PHASE
EVALUATE STREAM=1,
EVALUATE STREAM=1, LFRAC=0.01
EVALUATE STREAM=1, LFRAC=0.025
2: Alternate Report of Phase EnvelopE

For the same stream used in Example 125.1, calculate an alternative report containing
100 points on a 5 pressure unit increment. Use a starting point of 175 pressure units.
PHASE
EVALUATE STREAM=1, DP=5.0, IPRES=175, &
POINTS=100
Chapter 16.4 PHASE ENVELOPE 719


16.5 – HYDRATES
U
Keyword Summary
HYDRATE UID=uid, {NAME=text}

EVALUATE STREAM=sid, POINTS=30,
{INHIBITOR(type)=wtpercent},
IPRESSURE(ATM)=0.1, MAXPRES(ATM)=400.0
{DP(unit)=value, PESTIMATE=value}
or
ITEMP(unit)=value, {DT=value},
{MAXTEMP(unit)=value}, {TESTIMATE(unit)=value}
General Information
Hydrates are solid mixtures of water and other small molecules. Under certain process
conditions, particularly in the gas processing industry, hydrate formation may clog lines
and foul process equipment. The HYDRATE unit operation predicts the pressure and
temperature regime in which the process is vulnerable to hydrate formation. Calculations
performed assume the presence of free water for hydrates to form.
Possible hydrate formers include C1 through iC4, CO2, H2S, N2, ethylene, propylene, Ar,
Kr, Xe, cyclo-propane and sulfur hexafluoride. The effect of NaCl, methanol, EG, DEG
and TEG hydrate inhibitors can also be studied.

EVALUATE STREAM=sid, POINTS=30,
{INHIBITOR(type)=wtpercent},
IPRESSURE(ATM)=0.1, MAXPRES(ATM)=400.0
{DP(unit)=value, PESTIMATE=value}
or
ITEMP(unit)=value, {DT=value},
{MAXTEMP(unit)=value}, {TESTIMATE(unit)=value}
Each EVALUATE statement generates a single curve which defines the incipient
formation of hydrates.

Chapter 16.5 HYDRATES 721

STREAM This entry is required to specify a single stream label
identifying the stream which is to be checked for hydrate
formation.
INHIBITOR(type) Specifies an inhibitor and the weight percent concentration
(based on the aqueous phase) to be added for the
calculation. Allowable types are:
NACL or SALT
METH or MEOH
EG
DEG
TEG
POINTS Specifies the number of points in the table. The default and
maximum value is 30.
IPRESSURE Lower allowed pressure limit for prediction of incipient
hydrate formation. By default, this value is set at 0.1 ATM.
DP Pressure increment for hydrate tables.
MAXPRES Maximum pressure for hydrate predictions. By default, this
value is set at 400 ATM.
PESTIMATE Estimate of incipient formation pressure at the lower
temperature limit.
ITEMP Lower allowed temperature limit for incipient hydrate
calculations.
DT Temperature increment for hydrate tables.
MAXTEMP Maximum temperature for hydrate formation.
TESTIMATE Estimate of incipient formation temperature at the lower
pressure limit.
Example
1: Use a single HYDRATE module to perform the following evaluations. Stream A1
contains 6% propane and 94% carbon dioxide at 50 psia and 50 F. Stream A2 contains
8% propane and 92% carbon dioxide at 50 psia and 50 F. For stream A1, evaluate the
formation of hydrates in a regime with an initial pressure of 50 psia for a maximum of 20
points with a pressure step size of 5 psi. For stream A2, evaluate the formation of
hydrates in a pressure range of 50 to 175 psia with pressure step size of 5 psi. Note that
while water is not a specified component, hydrate calculations assume the presence of
free water for hydrates to form.

TITLE PROJ=HYDRATE, PROB=TEST, USER=SIMSCI
$
COMPONENT DATA
LIBID 1,C3/2,CO2
$
THERMO DATA
METHOD SYSTEM=PR
$
STREAM DATA
PROP STRM=A1,TEMP=50,PRES=50,COMP=6.0/94.0
PROP STRM=A2,TEMP=50,PRES=50,COMP=8.0/92.0
$
UNIT OPERATIONS DATA
HYDR UID=H1
EVAL STRM=A1,IPRES=50,DP=5,POINTS=20
EVAL STRM=A2,IPRES=50,DP=5,MAXPRES=175
$
END
Chapter 16.5 HYDRATES 723


16.6 – BINARY
U
VLE/LLE DATA
Keyword Summary
BVLE UID=uid, {NAME=text}

EVALUATE COMP=i,j, PRES(unit)=value or TEMP(unit)=value,
{TEST(unit)=value, PEST(unit)=value},
{XVALUES=0.0,1.0, POINTS=21, DELX=value, DEW,
PLOT=XY or GAMMA or KVALUE or ALL}

METHODS SET=setid
General Information
The BVLE module is used to validate binary vapor-liquid or vapor-liquid-liquid equilibrium
data for any given pair of components. This unit operation generates tables and plots of K-
values and fugacity coefficients versus liquid and vapor composition at a specified
temperature or pressure. A number of plot options are available. Any thermodynamic VLE
or VLLE K-value method may be used to validate the VLE or VLLE data.
For liquid activity thermodynamic methods, the K-values, liquid activity coefficient, vapor
fugacity coefficient, vapor pressures, and Poynting correction are determined. For non-
liquid activity methods such as the SRK cubic equation of state, K-values, and liquid and
vapor fugacity coefficients are determined.
The binary VLE/VLLE unit operation does not affect flowsheet convergence. It is always
executed after the flowsheet has fully converged.

Chapter 16.6 BINARY VLE/LLE DATA 725

Input Description
BVLE UID=uid, {NAME=text}
All the entries on the BVLE statement are general to all unit operations. Refer to Section
10.2, Unit Operation Input, for a description of their use.

EVALUATE COMP=i,j, PRES(unit)=value or TEMP(unit)=value,
{TEST(unit)=value, PEST(unit)=value},
{XVALUES=0.0,1.0, POINTS=21, DELX=value, DEW,
PLOT=XY or GAMMA or KVALUE or ALL}
Each EVALUATE statement defines a specific pair of components. At least one
EVALUATE statement is required.
COMP This entry gives the component pair to be evaluated. The

more volatile component should be designated as
component “i”.
PRES This is the pressure in input dimension units.
TEMP This is the temperature in input dimensions units.
TEST This is the corresponding estimated temperature for the first
bubble point calculation at the pressure given by the PRES
keyword.
PEST This is the estimated pressure for the calculation at the
specified temperature given by the TEMP keyword.
XVALUES This keyword gives the starting and ending values for
liquid/vapor mole fractions for component “i”. If only one
value is given, it is assumed to be the starting value, with
the number of points determined by the DELX and POINTS
entries (see below). If two values are given, they are
assumed to be the starting and terminal values. The default
values are 0.0 and 1.0.
DEW If this keyword is specified, then the XVALUES entries are
assumed to be vapor mole fractions. If this keyword is
absent, then the XVALUES entries are assumed to be liquid
mole fractions.
POINTS This entry gives the number of mole fraction points to be
calculated. The value may be any number greater than 2.
The default value is 21.
DELX This gives the fraction step between calculated points.
DELX, POINTS and a starting XVALUE may be used to
define the number of calculation points.

PLOT This gives the plot options:
XY plots vapor composition vs. liquid composition and

temperature or pressure vs. liquid and vapor compositions,
GAMMA plots the activity coefficients or liquid fugacity

coefficients vs. liquid composition,
KVALUE plots component K-values vs. liquid composition
and component K-values vs. temperature or pressure,
ALL plots all of the above.

METHOD SET=setid
When more than one thermodynamic method set appears in a problem, the METHODS
statement may be used to chose the set applicable to this unit operation. Refer to Section
10.2, Unit Operation Input, for information on defining and selecting thermodynamic
method sets for unit operations. Any thermodynamic VLE or VLLE K-value method is valid
for the BVLE unit operation.
Examples
1: BVLE Data Using Defaults
Using the SRK VLE thermodynamic method, validate binary VLE data for the component
pair methane-ethane at 3 atmospheres. Use the default starting and terminal values of 0.0
and 1.0 for the liquid mole fractions, and the default number of calculation points of 21.
Generate a plot of K-values vs. temperature.
TITLE PROJECT=MANUAL, PROBLEM=BVLE
COMP DATA
LIBID 1,METHANE/2,ETHANE
THERMO DATA
METHODS SYSTEM=SRK
STREAM DATA
PROP STRM=1, TEMP=50, PRES=14.7, COMP=50/50
UNIT OPERATIONS
BVLE UID=BVLE1
EVAL COMP=1,2,PRES(ATM)=3,PLOT=KVALUE
2: BVLE Data Using Multiple Thermodynamic Sets

Using the VLLE NRTL thermodynamic method and Peng-Robinson to calculate vapor
fugacity, validate binary VLE data for component pairs water-methanol at 150 F, and
acetone-methanol at 14.7 psia. Additionally, use the Rackett method to calculate the liquid
molar volume and specify no Poynting correction. Also, validate binary VLE data for
acetone-ethanol at 14.7 psia, methanol-ethanol at 100 F and methanol-water at 150 F
using the Kabadi-Danner modification to the SRK equation of state. For the methanol-
ethanol pair, validate the VLE data at vapor mole fractions of 0.0 and 1.0, while for the
Chapter 16.6 BINARY VLE/LLE DATA 727

methanol-water pair, specify the liquid mole fraction evaluation points as 0.2, 0.4, 0.6, 0.7,
0.8 and 0.9.
TITLE PROJECT=MANUAL, PROBLEM=BVLE
COMP DATA
LIBID 1,WATER/2,METHANOL/3,ACETONE/4,ETHANOL
THERMO DATA
METHODS SETNO=1, SYSTEM(VLLE)=NRTL, PHI=PR
KVALUE POYNT=NO, MOLVOL=RACKETT
METHODS SETNO=2, SYSTEM=SRKKD
STREAM DATA
PROP STRM=1, TEMP=50, PRES=14.7, COMP=420/ &
1010/290/440
UNIT OPERATIONS
BVLE UID=BVLE1
EVAL COMP=2,1,TEMP=150,PLOT=KVALUE
EVAL COMP=3,2,PRES=14.7,PLOT=ALL
METH SETNO=1
BVLE UID=BVL2
EVAL COMP=3,2,PRES=14.7,PLOT=ALL
EVAL COMP=2,4,TEMP=100,DEW,PLOT=GAMMA
EVAL COMP=2,1,TEMP=150,XVAL=0.2,0.4,0.6,0.7,0.8,0.9, &
PLOT=XY
METH SETNO=2

16.7 – HEXTRAN
U
PROPERTY DATA
GENERATOR
Keyword Summary
HEXTABLES UID=uid, {NAME=text}

GENERATE STREAM=sid, PRES=p1,...p10, TEMP=t1,...t20,
SETNO=hexno, ALL,
{DT, DP, TPOINTS, PPOINTS,
PXTRAPOLATE or TXTRAPOLATE,
U U
NOPRINT, THERMO=hexno,
PETRO=hexno, DENSITY=hexno, TRANSPORT=hexno,
LCON=hexno, LVIS=hexno, LCP=hexno, LDENS=hexno,
VCON=hexno, VVIS=hexno, VCP=hexno, VDENS=hexno,
LATENT=hexno, SURFACE=hexno, CFRAC=hexno,
WFRAC=hexno, ENTHALPY=hexno, DUTY=hexno,
LAPI=hexno, VAPI=hexno, LWATSONK=hexno,
VWATSONK=hexno, LSPGR=hexno, VSPGR=hexno,
BUBBLE=hexno, DEW=hexno, DEWWATER=hexno}

DIMENSION ENGLISH or METRIC or SI
File Identification (optional)

FILENAME fileid

METHODS SET=setid
General Information
The HEXTABLES unit operation generates property data tables
for use by the HEXTRAN program. Users of this utility should be familiar with the

Chapter 16.7 HEXTRAN PROPERTY DATA GENERATOR 729

PROPERTY DATA category of input in the HEXTRAN Keyword Manual. The data table
will be in the format described in the HEXTRAN Keyword Manual. Any number of
GENERATE statements may appear in each HEXTABLES unit operation.
The dimensions of the properties generated may be specified by use of a local
DIMENSION statement. If this statement is omitted, the dimensions of the properties
generated will correspond to those given on the global DIMENSION statement given in the
General Data category of input.
The HEXTRAN unit operation does not affect flowsheet convergence. It always executes
after the flowsheet has fully converged.
Input Description
HEXTABLES UID=uid, {NAME=text}

GENERATE STREAM=sid, PRES=p1,...p10, TEMP=t1,...t20,
SETNO=hexno, ALL,
{DT, DP, TPOINTS, PPOINTS,
PXTRAPOLATE or TXTRAPOLATE,
U U
NOPRINT, THERMO=hexno,
PETRO=hexno, DENSITY=hexno, TRANSPORT=hexno,
LCON=hexno, LVIS=hexno, LCP=hexno, LDENS=hexno,
VCON=hexno, VVIS=hexno, VCP=hexno, VDENS=hexno,
LATENT=hexno, SURFACE=hexno, CFRAC=hexno,
WFRAC=hexno, ENTHALPY=hexno, DUTY=hexno,
LAPI=hexno, VAPI=hexno, LWATSONK=hexno,
VWATSONK=hexno, LSPGR=hexno, VSPGR=hexno,
BUBBLE=hexno, DEW=hexno, DEWWATER=hexno}
All entries on the HEXTABLES statement are general to all unit operations. Refer to
Section 10.2, Unit Operation Input, for their usage description.
Any number of GENERATE statements may appear in each HEXTABLES unit operation.
“hexno” refers to the HEXTRAN set number (1-97).
STREAM This entry identifies the stream for which property tables are to be
generated.
PRES This entry defines the pressure for the property table. Upto 10
values are allowed. If PRES is not specified, then the current
stream pressure will be used to generate properties.
TEMP This entry defines the temperature for the property table. Upto 20
values are allowed. If no entries or one entry is supplied, then
values for DT and TPOINTS are also required. If no TEMP
entries are supplied, then the current stream temperature is
assumed to be the first point.
SETNO This entry gives the HEXTRAN set number (1-97) and applies
globally to all requested properties.

ALL This keyword requests that all properties except DUTY, LSPGR,
and VSPGR be calculated. This keyword is required if none of the
properties are individually specified.
DT This entry specifies the temperature increment when an entry is
given for TPOINTS. The TPOINTS entry is required when this
entry is given.
DP This entry specifies the pressure increment when an entry is
given for PPOINTS. The PPOINTS entry is required when this
entry is given.
TPOINTS This keyword specifies the number of temperature points. The
maximum value allowed is 20. The DT entry is required if this
entry is given.
PPOINTS This keyword specifies the number of pressure points. The
maximum value allowed is 10. The DP entry is required if this
entry is given.
PXTRAPOLATE This keyword selects the method for filling a grid of temperature
or and pressure points when a property disappears as the
TXTRAPOLATE temperature increases or decreases, e.g., when liquid properties
disappear as the dew point is reached. The default is
PXTRAPOLATE, which fills up the missing grid points by copying
the closest value at the same temperature. TXTRAPOLATE fills
up the missing grid values by copying the closest temperature
value at the same pressure.
NOPRINT The presence of this keyword suppresses the printing of the
tables in the PRO/II output.
THERMO This keyword requests the calculation of the following properties;
LCP, VCP, LATENT, ENTHALPY, CFRAC, and WFRAC. If
“hexno” is not given, the value given on the SETNO keyword is
used instead.
PETRO This keyword requests the calculation of the following properties;
LAPI, VAPI, LWATSONK, and, VWATSONK. If “hexno” is not
given, the value given on the SETNO keyword is used instead.
DENSITY This keyword requests the calculation of the following properties;
LDENS and VDENS. If “hexno” is not given, the value given on
the SETNO keyword is used instead.
TRANSPORT This keyword requests the calculation of the following properties;
LCON, VCON, LVIS, VVIS, and SURFACE. If “hexno” is not
given, the value given on the SETNO keyword is used instead.
The following keywords may be used to specify individual properties. For all cases, if
“hexno” is not given, the value specified on the SETNO keyword is used as the default.
The keyword DUTY is not allowed with THERMO or ALL or ENTHALPY.

LCON Liquid thermal conductivity.
LVIS Liquid viscosity.
LCP Liquid specific heat.
LDENS Liquid density.
VCON Vapor thermal conductivity.
VVIS Vapor viscosity.
VCP Vapor specific heat.
VDENS Vapor density.
LATENT Stream latent heat.
SURFACE Surface tension.
CFRAC Condensate weight faction.
WFRAC Water weight faction condensate data.
ENTHALPY Total stream enthalpy.
DUTY Total stream duty.
LAPI Liquid API gravity.
VAPI Vapor API gravity.
LWATSONK Liquid Watson (UOP) characterization factor.
VWATSONK Vapor Watson (UOP) characterization factor.
LSPGR Liquid specific gravity.
VSPGR Vapor specific gravity.
BUBBLE The stream bubble point and the corresponding
enthalpy value.
DEW The stream dew point and the corresponding
enthalpy value.
DEWWATER The stream aqueous dew point and the
corresponding enthalpy.

DIMENSION ENGLISH or METRIC or SI
The DIMENSION statement is used to specify the dimensions of the properties generated.
The use of this statement overrides the global DIMENSION statement specified in the
General Data category of input.

File Identification (optional)
FILENAME fileid
The FILENAME statement is used to specify the HEXTRAN output filename. The
statement is optional if only one HEXTABLES unit operation is present. When multiple
HEXTABLES unit operations are present, each must contain a unique file name. If
“fileid”is not given, the input filename is the default for most platforms. However, on IBM
VM computers, the input filename will not be used by default. On IBM computers, the
“fileid” must be supplied. On computers that support file extensions (PC, VAX, UNIX), the
filename will have an .EXT extension. If an extension other than .EXT is requested, PRO/II
will terminate with an input error. If the .EXT extension is not provided, it will be supplied
automatically.

METHOD SET=setid
Section 10.2, Unit Operation Input, for information on defining and selecting
Example
1: Generate HEXTABLES Using Multiple Thermodynamic Methods
TITLE PROJECT=MANUAL, PROB=HEXTAB
COMP
LIBID 1, METHANOL/2,WATER/3,BENZENE/4,TOLUENE/5,PHENOL
THERMO
METHODS SETNO=1, SYSTEM=SRKKD, TRANSPORT=LIBRARY
METHODS SETNO=2, SYSTEM=BK10, TRANSPORT=LIBRARY
STREAM
PROP STREAM=STR1, TEMP=160, PRES=14, &
COMP=1, 420/2, 1010
PROP STREAM=STR2, TEMP=50, PRES=14.7, COMP=1, 0.0/2, &
720/3, 0.0/4, 1010
UNITS
HEXTABLES UID=HEX1
GENERATE STREAM=STR1, DT=10, TPOINTS=5, DP=2, &
PPOINTS=2, TXTRAPOLATE, PETRO=2, SETNO=11, LSPGR, &
VSPGR, BUBBLE=3, DEWWATER=4
FILENAME CALC2
METHOD SETNO=1
DIMENSION SI
HEXTABLES UID=HEX2
GENERATE STREAM=STR2, TEMP=160, DT=10, TPOINTS=7, &
PRES=14, DP=1, PPOINTS=3, SETNO=1, CFRA, WFRA, DEWW, &
DUTY, LWAT, VAPI
METHOD SETNO=2
DIMENSION METRIC


16.8 – COMPONENT
U
LUMPING
Keyword Summary
LUMP UID=uid, {NAME=text}

FEED sid1
Lumping Conditions (required)

CLUSTER NPS=i, ISTART=1, INDEX=i1, i2, ...

METHODS SET=setid
General Information
The Component Lumping unit allows you to reduce your flowsheet component slate by
clustering groups of library or assay components into “lumped” components. The unit
algorithm will determine the best lumped component and thermodynamic property data for
your selected component slate.
The Component Lumping unit generates a partial keyword input file that contains the
calculated properties for these lumped components (in the Component Data category of
input), along with the General, Thermodynamic, and Stream Data categories of input.
Other data categories (e.g., the Unit Operations data category) are not generated by
running the Component Lumping unit. You must edit the file created by the Component
Lumping unit to add your unit operation and miscellaneous flowsheet data.
The Component Lumping unit operation does not affect flowsheet convergence. It always
executes after the flowsheet has fully converged.

Chapter 16.8 COMPONENT LUMPING 735

Input Description
LUMP UID=uid, {NAME=text}
All entries on the LUMP statement are general to all unit operations. Refer to Section 10.2,
Unit Operation Input, for their usage description.
Lumping Conditions (required)

CLUSTER NPS=i, ISTART=1, INDEX=i1, i2, ...
The CLUSTER statement defines a single slate of components. Only one CLUSTER
statement is permitted in one LUMPING module. NPS and ISTART are used for dynamic
clustering; INDEX is used for manual clustering.
NPS This keyword specifies the number of clusters
(pseudocomponents) to generate.
ISTART This keyword specifies the component that starts the lumping
procedure. The default is 1. For example, if BUTANE is
component number 5 on the LIBID statement in the
Component Data category of input, ISTART=5 means that
component lumping will be performed for BUTANE and all
subsequent components in the component list. The NPS
keyword is required.
INDEX This keyword specifies which cluster individual components
will be assigned to. The NPS and ISTART keywords are not
used.
For example:
INDEX=1,1, 2,2,2, 3,3,3
means that the first two components will be assigned to cluster

1, the next three components to cluster 2, and the subsequent
three components to cluster 3.

METHOD SET=setid
When more than one thermodynamic method set appears in the problem, the METHODS
operations. The thermodynamic method must be either SRK or PR with the standard
mixing rules.

Examples
1: For a crude feed with 7 lightend components (C2 through C5 and H2O), use the
lumping unit to request 10 clusters (10 pseudocomponents) starting with component 8
(i.e., only cluster the assay components).
TITLE
PRINT STREAM=NONE, INPUT=NONE
DIMEN PRES=PSIG, LIQV=BBL
COMPONENT DATA
LIBID 1,H2O/2,C2/3,C3/4,IC4/5,NC4/6,IC5/7,NC5
CUTPOINT CUTSET=SIMSCI
THERMODYNAMIC DATA
METHODS SYSTEM=PR,COND=PETR,VISC(V)=PETR,VISC(L)=API
STREAM DATA
PROP STREAM=1,TEMP=450,PRES=14,PHASE=L,RATE(V)=5000, &
ASSAY=LV
TBP STREAM=1,PRES(MMHG)=760, &
DATA=3,97/5,149/10,208/20,330/30,459/40,590/ &
50,690/60,770/70,865/80,980/100,1600
API STREAM=1,AVG=29.2
LIGHT STREAM=1,PERCENT(V)=3, &
COMP(V)=2,0.1/3,0.2/4,0.3/5,0.7/6,0.5/7,1.2, &
NORMALIZE
NAME 1,CRUDE FEED
UNIT OPERATIONS
LUMP UID=LM
FEED 1
CLUSTER NPS=10, ISTART=8
END
2: Use the lumping unit to lump 10 hydrocarbon components into 4 clusters (4
pseodocomponents), assigning C1, C2, and C3 to cluster 1, IC4 and NC4 to cluster 2, IC5
and NC5 to cluster 3, and NC6, NC7, and NC8 to cluster 4.
TITLE
PRINT STREAM=NONE, INPUT=NONE
DIMEN PRES=PSIG,LIQV=BBL
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,IC4/5,NC4/ &
6,IC5/7,NC5/8,NC6/9,NC7/10,NC8
THERMODYNAMIC DATA
METHODS SYSTEM=PR,COND=PETR,VISC(V)=PETR,VISC(L)=API
STREAM DATA
PROP STREAM=1,TEMP=450,PRES=14, RATE(V)=5000, &
COMP=1/2/3/4/5/5/4/3/2/1, NORMALIZE
Chapter 16.8 COMPONENT LUMPING 737

UNIT OPERATIONS
LUMP UID=LM
FEED 1
CLUSTER INDEX= 1,1,1, 2,2, 3,3, 4,4,4
END

17.1 – FEEDBACK
U
CONTROLLER
Keyword Summary
CONTROLLER UID=uid, {NAME=text}
Performance Specification (required)

Exactly one specification statement is required.
On a stream:
U U
WET or DRY,
U U

On a column-internal stream:
U U U U

On a unit operation:
Stream/Unit/Thermodynamic Variables (required)

Exactly one stream, unit, or thermodynamic parameter variable is required.
On a stream:
VARYSTREAM=sid, <parameter>,
VARY <unit type>=uid, <parameter>,
On a thermodynamic parameter:
Chapter 17.1 FEEDBACK CONTROLLER 739

VARY THERM=setid, < parameter>,
{MINI-value, MAXI=value, STEPSIZE=value},
Controller Parameters (optional)

CPARAMETER ITER=10, IPRINT or NOPRINT,
NOSTOP or STOP,
U U
{RETURNUNIT=uid}
General Information
The CONTROLLER is analogous to a feedback process controller. It adjusts an upstream
parameter in the flowsheet to reach a specified objective on a process stream, unit, or
thermodynamic parameter operation. A specification may be made on a stream property
or rate, a unit operating condition, or a CALCULATOR result. The control variable may be
a stream or unit operation condition, or a CALCULATOR result. There must be one
specification and one variable.
The PRO/II Reference Manual may be consulted for a description of the CONTROLLER
Input Description
CONTROLLER UID=uid, {NAME=text}
This must be the first statement of a CONTROLLER unit. Section 10.2, Unit Operation

The specification statement defines the CONTROLLER objective. Exactly one
specification must be given.
On a stream:
SPEC <part1>, <operator>, <part 2>,
VALUE=value, <tolerance>=value
SPEC is a stream or unit specification statement defining the CONTROLLER objective. A
specification may be declared for a process stream, an internal column stream, or a unit
operation.
Refer to Section 10.4, Specs, Constraints and Objectives, for a discussion of the
generalized specification format.
Table 10.3-2, Stream Cross-Reference Availability, lists the stream variables available for
specification and reference.
Table 10.3-3, Unit Operation Parameters Available for Cross-Referencing, lists the unit
operation variables available for specification and reference.

Exactly one stream, unit, or thermodynamic parameter variable must be given for the
CONTROLLER.
On a stream:
VARY STREAM=sid, <parameter>,
VARY THERM=setid, < parameter>,
{MINI-value, MAXI=value, STEPSIZE=value},
The VARY statement designates the stream or unit operation variable or thermodynamic
parameter that is allowed to change to meet the specification. The statement must contain
at least a stream, unit, or thermodynamic identification and a variable name. The other
keyword entries are optional.
Section 10.6, Vary and Change Statements, provides more detail about the general format
of the VARY statement.
The stream variables available to the VARY statement are TEMP, PRES, and RATE.
operation variables available to the VARY statement.
Table 10.3-3I, Thermodynamic Parameters, lists the thermodynamic parameter variables
to the VARY statement.
Controller Parameters (optional)

CPARAMETER Statement
This statement defines various CONTROLLER options. Use only one controller parameter
statement in a CONTROLLER unit. All entries on the statement are optional.
CPARAMETER ITER=10, IPRINT or NOPRINT,
NOSTOP or STOP,
U U
{RETURNUNIT=uid}
ITER This keyword sets the maximum number of calculation loop

iterations for the CONTROLLER. The default value is 10.
IPRINT or When given, the IPRINT keyword causes PRO/II to print results

NOPRINT for each control loop iteration. The NOPRINT keyword
suppresses the loop iteration printout. The default is IPRINT.
Note that when an outer calculational loop (such as a recycle,

optimizer, or another controller) contains the CONTROLLER as
an inner unit, PRO/II prints this summary each time the
CONTROLLER calculation is completed.
NOSTOP or If the value of <parameter> on the VARY statement exceeds the
STOP limits defined by its MAXI/MINI entries, the NOSTOP option
allows the CONTROLLER to use the limiting value as a solution
and to continue the flowsheet calculations. This is true even if the
specification tolerance check fails. The STOP keyword causes the
calculations to terminate if a MAXI/MINI limit is reached. NOSTOP
is the default.
RETURNUNIT This keyword specifies the id of the unit (“uid”) in the calculation
loop that is calculated after the CONTROLLER changes the value
of <parameter>. With one exception, PRO/II normally determines
the return unit automatically. The RETURNUNIT keyword allows
the user to override the automatically determined unit id, which
may be desirable in certain cases, such as those involving recycle
loops. The one exception is when the CONTROLLER is varying
thermodynamic parameters. In this case, a RETURNUNIT is
required since PRO/II cannot determine which units are affected
by the change in the thermodynamic parameters.
Examples
1: Weight Fraction Controller
CONTROLLER UID=CNT1,NAME=CONTROLLER 1
SPEC STREAM=1,COMP=3,4,FRAC(W),VALUE=0.01
VARY FLASH=F1,TEMP,MAXI=300,MINI=100, &
EST2=150,STEP=50
CPARAM ITER=20,NOPRINT,STOP
Use a CONTROLLER to make the weight fraction of components 3+4 in stream 1 equal to
0.01. The temperature of flash unit F1 may be varied between 100 and 300 degrees. If the
temperature reaches one of these limiting values, the flowsheet calculations stop. The
CONTROLLER algorithm uses 150 degrees as a second estimate of the temperature, and
a maximum iteration step size of 50 degrees. A maximum of 20 iterations is allowed for
the CONTROLLER loop calculations, and the iteration printout is suppressed.

2: Control Compressor Head
CONTROLLER UID=CON2
SPEC COMPR=C1,HEAD,ADD,COMPR=C0,HEAD, &
VALUE=100000,
VARY STREAM=101,RATE
The CONTROLLER varies the rate of stream 101 to make the HEAD of compressor C1
plus the HEAD of compressor C0 equal to 100000.
3: Reflux Control
CONTROLLER UID=FBC
SPEC COLUMN=T100,TRAY=1,PHASE=L,RATE(W), &
DRY, DIVIDEBY,STREAM=OVHD,VALUE=3,MINI=2.5
VARY COLUMN=T101,DUTY(2)
For this CONTROLLER, the liquid weight rate from tray 1 of column T100 divided by the
weight rate of stream OVHD is specified between limits of 2.5 and 3. The CONTROLLER
varies the second duty in column T100 to reach this specification. Note that if OVHD is the
overhead product from column T100, the specification is on the reflux ratio for the column.


17.2 – MULTI-
U
VARIABLE
CONTROLLER
Keyword Summary
MVC UID=uid, {NAME=text}, {PLOT}

At least one specification statement must be given.
On a stream:
SPEC STREAM=sid, <property 1>, PHASE=T or L or V,
U U
WET or DRY,
On a column internal stream:
U U U U

SPEC <unit type>=uid, <property 1>,

One stream or unit or thermodynamic variable must be given for each specification.
On a stream:
{SFACTOR=a,b, NOSTOP}
MINI=value, MAXI=value, STEPSIZE=value},
Chapter 17.2 MULTI-VARIABLE CONTROLLER 745

VARY THERM=setid, <parameter>,
MINI=value, MAXI=value, STEPSIZE=value},
MVC Parameters (optional)

MVCPARAMETER {RETURNUNIT=uid, CYCLES=value},
(IPRINT, NOSTOP},
SVARIABLE =100,
SVSTEP=10, SVERROR=0.00001
General Information
The Multi-Variable Controller (MVC) is an expanded form of the CONTROLLER. While the
CONTROLLER handles only one specification and one variable, the MVC adjusts an
unlimited number of upstream variables to reach the same number of specified objectives.
Specifications may be made on stream properties and rates, unit operating conditions,
and CALCULATOR results. Variables may be stream and unit operation conditions and
thermodynamic parameters and CALCULATOR results. The number of variables must
equal the number of specifications.
Refer to the PRO/II Reference Manual for a description of the MVC computational
algorithm.
Input Description
MVC UID=uid, {NAME=text}, {PLOT}
This must be the first statement of a Multi-Variable Controller. Section 10.2, Unit
Operation Input, describes all optional entries. The plot option requests diagnostic plots of
the convergence history.

The specification statements define the controller objectives. An unlimited number of
specifications may be given; at least one must be given.
SPEC <part 1>, <operator>, <part 2>,
VALUE=value, <tolerance>=value
SPEC is a stream or unit specification statement defining the controller objective(s).
Specifications may be declared for process streams, internal column streams, or unit
operations.
Refer to Section 10.4, Specs, Constraints, Objectives, for a discussion of the generalized
specification format.

Table 10.3-2, Stream Cross-Reference Availability, lists the stream variables available for
specification and reference.

Give one stream or unit variable for each specification statement. The number of
stream/unit/thermodynamic variables must be the same as the number of specifications.
Since an unlimited number of specifications are allowed, an unlimited number of variables
are also allowed. At least one must be given.
VARY statements designate the stream or unit operation variables that are allowed to
change to meet the specifications. Each VARY statement must contain at least a stream
or unit identification and a variable name. The other keyword entries are optional.
On a stream:
VARY THERM=setid, <parameter>,
Section 10.6, Vary and Changes Statements, provides more detail about the general
format of the VARY statement. Besides the general keywords, the MVC allows one
additional keyword to be used on the statement: NOSTOP. It is described below.
available to the VARY statement.
SFACTOR
This keyword allows the definition of two factors that are used to
scale the value of the <parameter> entry. The equation
X=a*<parameter>+b defines the scaled value, X, of <parameter>
for the convergence algorithm. If omitted, PRO/II scales
<parameter> so that its magnitude is defined by SVARIABLE on
the MVCPARAMETER statement.

NOSTOP
When the value of <parameter> exceeds the limits defined by
MAXI and MINI, this option allows the MVC to use the limiting
value as a solution. The calculations continue.
MVC Parameters (optional)

MVCPARAMETER Statement
This statement defines various controller options. Use only one MVCPARAMETER
statement in an MVC unit. All entries on the statement are optional.
MVCPARAMETER {RETURNUNIT=uid, CYCLES=value},
{IPRINT, NOSTOP}, SVARIABLE=100,
SVSTEP=10, SVERROR=0.00001
This keyword specifies the “uid” of the unit in the MVC
RETURNUNIT calculation loop that the MVC calculates first. In most cases, the
default is the first unit that the MVC affects in the flowsheet
calculation sequence. However, when the MVC varies
thermodynamic parameters, no default is available since PRO/II
cannot determine which units need to be recomputed. In this
case, a RETURNUNIT is required.
This keyword sets the maximum number of MVC cycles. PRO/II
CYCLES restarts this counter each time it passes through an external
calculation loop (recycles, optimizers, etc., which are external to
the MVC). The default value is 18 plus the number of variables.
When given, this keyword causes PRO/II to print intermediate
IPRINT results for each MVC cycle.
The keyword combination IPRINT=SUMMARY causes PRO/II
to print the computational history upon exiting the last cycle.
Note that when an outer calculational loop (such as a recycle,
optimizer, or another controller) contains the MVC as an inner
unit, PRO/II prints this summary each time the MVC calculation
is completed.
NOSTOP When a <parameter> value on any VARY statement exceeds
the limits defined by its MAXI/MINI entries, this option allows
the MVC to use the limiting value as a solution and to continue
the calculations. This is true even if the specification tolerance
check fails. This is equivalent to using a NOSTOP entry on
every VARY statement.

This sets the initial value for all scaled <parameter> values. The
SVARIABLE default value is 100.
Use this keyword to set the maximum (absolute) initial step size
SVSTEP for any scaled <parameter>. The default value is 10.
This keyword sets the maximum (absolute) error in any scaled
SVERROR specification at solution time. The default value is 0.00001.
Examples
1: Heat Exchanger Control
MVC UID=MC1,NAME=MVC TEST

T T
SPEC STREAM=12,RATE,VALUE=39650,ATOL=50
SPEC STREAM=5,RATE(W),VALUE=82.3
SPEC HX=HX1,LMTD,VALUE=25
VARY FLASH=F1,TEMP,MAXI=600, MINI=300
VARY COMPR=C1,PRESSURE,EST2=100
VARY STREAM=1,RATE,MAXI=10000,MINI=4000
MVCPARAM IPRINT=SUMMARY
Use a Multi-Variable Controller to get (1) a molar rate of 39650 plus-or-minus 50 moles for
stream 12, (2) a weight rate of 82.3 for stream 5, and (3) a log-mean temperature
difference of 25 F for heat exchanger HX1. (The heat exchanger has a UA specification.)
To reach these specifications, vary (1) the temperature of flash unit F1 over the range of
300 to 600 F, (2) the pressure of compressor C1, and (3) the flow rate of stream 1 over
the range of 4000 to 10000 moles per unit time. Print an intermediate summary at solution
time.
2: Vacuum Column Solution

MVC UID=MVC1,NAME=FLASH POINTS
SPEC CALC=CAL1,R(2)=65, ATOL=2.0
VARY COLUMN=C1,SPEC(1),EST2=119
Use a Multi-Variable Controller to find the solution for a vacuum column. Vary the first
column specification to get the value of a CALCULATOR result of 65. (This value
represents a flash point that is calculated for one of the column products.) Note that
tolerances are included with the specifications to simplify the solution.


17.3 – FLOWSHEET
U
OPTIMIZER
Keyword Summary
OPTIMIZER UID=uid, {NAME=text}, {PLOT}
T T T T T T T T
Objective Function (required)

Exactly one objective function must be given.
On a stream:
OBJECTIVE STREAM=sid, <property 1>,
T T
PHASE=T or L or V, WET or DRY,

T T U U

MAXIMIZE or MINIMIZE,{RTOLER=0.005}
T T T T T T

OBJECTIVE COLUMN=uid or SIDESTRIPPER=uid,
T T T T T T
<property 1>, PHASE=L or V, TRAY=value, T T T T
WET or DRY,
U U T T

MAXIMIZE or MINIMIZE, {RTOLER=0.005}
T T T T T T
OBJECTIVE <unit type>=uid, <property 1>,
T T

MAXIMIZE or MINIMIZE, {RTOLER=0.005}
T T T T T T
Optimization Variables (required)

At least one optimization VARY statement is required.
On a stream:
T T
MINI=value, MAXI=value, {STEPSIZE=value},

T T T T T T
{RTOLER=value},
T T
{RPERTURB=value or APERTURB=value}
T T T T
Chapter 17.3 FLOWSHEET OPTIMIZER 751

VARY<unit type>=uid, <parameter>,
T T

T T T T T T
{RTOLER=value},
T T
T T T T
VARYTHERM=setid, < parameter>,
T T

T T T T T T
{RTOLER=value},
T T
T T T T
Constraints (optional)
The CONSTRAINT statement limits a flowsheet parameter (other than an optimization
variable) to a specified range of values.
On a stream:
CONSTRAINT
T STREAM=sid, <property 1>, T
PHASE=T or L or V, WET or DRY,

T T U U T T

MAXIMUM=value, MINIMUM=value,
T T T T
T T T T

CONSTRAINT
T COLUMN=uid or SIDESTRIPPER=uid, T T T
<property 1>, PHASE=L or V, TRAY=value, T T U U T T
WET or DRY,
U U T T

T T T T
T T T T
CONSTRAINT
T T <unit type>=uid, <property 1>,
T T T T
T T T T
Performance Specification (optional)

The SPECIFICATION statement fixes a flowsheet parameter (other than an optimization
variable) at a specific value.
On a stream:
SPEC STREAM=sid, <property 1>, PHASE=T or L or V,
T T T T U U
WET or DRY,
U U T T

T T T T T T

T T T T

T T U U T T U U T T

T T T T T T
SPEC <unit type>=uid, <property 1>,
T T

T T T T T T
OPTIMIZER Parameters (optional)

Use this statement to define certain computational parameters for the
OPTIMIZER.
OPTPARAMETER {RETURNUNIT=uid, CYCLES=value},
T T T T T T
{DPRINT=ALL, IPRINT=ALL }, T T U U T T U U
{OPRINT=HISTORY, SVERROR=value},
T T U U T T
{NOSCALE }, T T
{COPY or NOCOPY} T T U U
{BROYDEN=value}, T T
{SHADOW=NONE, BRIEF, or ALL},T T
{FULL}, T T
{LMODE=0}, T T
{DERIVATIVE}, T T
{ELIM=value, or KEEP=value}, T T T T
{LOCAL=NONE, or TP or TPX or TPXY}

T T U U
General Information
The flowsheet OPTIMIZER either maximizes or minimizes an objective function by varying
a number of flowsheet variables subject to a number of constraints, while meeting a
number of specifications. The objective function may be expressed as an economic
criterion, such as maximum profit or minimum cost, or as an operational criterion, such as
maximum recovery or minimum loss. Optimization variables may be stream rates, unit
operation conditions, thermodynamic parameters and CALCULATOR results. Limitations
must be imposed on all optimization variables. Constraints and specifications may be
imposed on other flowsheet parameters.
Refer to the PRO/II Reference Manual for a description of the OPTIMIZER computational
algorithm.

Input Description
OPTIMIZER UID=uid, {NAME=text}, {PLOT}
T T T T T T T T
This must be the first statement of an OPTIMIZER unit operation. Section 10.2, Unit
Operation Input, describes all optional entries. The plot option requests diagnostic plots of
the convergence history.
Objective Function (required)

The optimization objective function may be either a design or a performance objective. It
may be expressed as an economic criterion (e.g., minimum cost or maximum profit) or as
an operational criterion (e.g., maximum recovery or minimum loss).
Objective Statement
Exactly one OBJECTIVE statement must be given.
OBJECTIVE <part 1>, <operator>, <part 2>,
T T
MAXIMIZE or MINIMIZE,{RTOLER=0.005}
T T T T T T
Table 10.3-2, Stream Cross-Reference Availability, lists the stream variables available to
the OBJECTIVE statement.
operation variables available to the OBJECTIVE statement.
<part 1> These entries on the OBJECTIVE statement follow the same format
<operator> and structure as the entries described for the Generalized Specification
<part 2> statement. Refer to Section 10.4, Specs, Constraints and Objectives,
for a detailed description of these entries.
MAXIMIZE or Use one of these required keywords to define whether the objective
MINIMIZE function is to be maximized or minimized. Note that a negative value is
minimized when its absolute value is maximized.
RTOLER For the optimization problem to solve successfully, the relative change
in the value of the objective function from one calculational cycle to the
next must be less than the value given by this tolerance keyword. The
default value is 0.005, equivalent to 0.5 percent.
Optimization Variables (required)

An optimization variable is a flowsheet value that is varied to maximize or minimize the
objective function. Optimization variables may be stream rates or properties, unit
operation conditions, and thermodynamic properties. CALCULATOR results may also be
used as optimization variables.
VARY statements designate those stream and unit operation values that are allowed to
change to reach the optimization objective. The VARY statement must contain at least a
stream, unit identifier, or thermodynamic parameter and a variable name. The other
keyword entries are optional.

On a stream:
{RTOLER=value},
T T

T T T T T T
{RTOLER=value},
T T
T T T T
VARYTHERM=setid, < parameter>,
T T

T T T T T T
{RTOLER=value},
T T
T T T T
Section 10.6, Vary and Change Statements, provides more details about the general
format of the VARY statement. Instead of the keywords EST2 and PCT2 described in
Section 10.6, the OPTIMIZER allows three other keywords to be used on the statement:
RTOLER, RPERTURB, and APERTURB. They are described below.
available to the VARY statement.
STEPSIZE By default, the variables are not allowed to move more than 30, 60
and 90 percent to their upper or lower limit during optimization cycles
1, 2 and 3, respectively. This is intended as a “safety feature”; it
prevents the optimizer from moving too far, particularly when the
derivatives are inaccurate. The STEPSIZE keyword is used to
override this default by providing an absolute limit for the maximum
change in a variable during one optimization cycle. Providing a value
for STEPSIZE, which is larger than MAXI-MINI for a particular
variable, allows that variable to move through its full range at every
optimization cycle.
If the OPTIMIZER contains more than one VARY statement, the changes in
the variables determined by the optimizer will all be reduced by the same factor until
all the variables are within the limits imposed by the individual STEPSIZEs. Hence,
the relative change in the variables is not affected by the STEPSIZE on each variable.
RTOLER To solve the optimization problem successfully, the relative change in
the value of <parameter> from one calculational cycle to the next
must be less than the value given by this tolerance keyword. The
default value is 0.001, equivalent to 0.1 percent.

RPERTURB These keywords define the relative (RPERTURB) or the absolute
or (APERTURB) step size used to determine the derivatives for the
APERTURB optimization calculations. The default is RPERTURB with a value of 2
percent of the difference between the MAXI and MINI keyword
values.
Inaccurate derivatives may cause the OPTIMIZER to terminate prematurely or

fail. The accuracy of the derivatives can be improved by tightening the flowsheet
tolerances (see Section 5, General Data) and by using COPY (see below under
OPTPARAMETER). Both of these will cause more time to be spent in the initial
OPTIMIZER cycles, but should reduce the overall time to solve the problem. In addition, it
is important to select an appropriate perturbation size (RPERTURB or APERTURB). If the
perturbation is too small, the derivative will be dominated by the noise in the flowsheet
solution. If it is too large, the OPTIMIZER will overstep the solution. Ideally, the
perturbation size for each variable should be chosen as:
APERT =(square root of relative accuracy of flowsheet solution) multiplied by (typical
value of the variable).
For more information on selecting perturbation steps, refer to PRO/II Reference Manual.
Constraints (optional)
Constraints define the domain of acceptable solutions to the optimization problem; that is,
they define ranges into which certain flowsheet values must fall to represent an
acceptable solution to the optimization problem. Constraints may be placed on design or
performance values, including values defined by a CALCULATOR unit operation.
Note that a constraint defines a range of acceptable values for a flowsheet parameter that
is not an optimization variable.
CONSTRAINT Statement
Constraints define the optimization domain for the flowsheet. A CONSTRAINT statement
may be declared for process streams, internal column streams, or unit operations.
CONSTRAINT <part 1>, <operator>, <part 2>,
MAXIMUM=value, MINIMUM=value
the CONSTRAINT statement.
operation variables available to the CONSTRAINT statement.
Refer to Section 10.4, Specs, Constraints and Objectives, for a discussion on the
generalized constraints format.

<part 1> These entries follow the same format and structure as the
<operator> entries described for the Generalized Specification.
<part 2>
Refer to Section 10.4, Specs, Constraints and Objectives, for
a detailed description of these entries.
MAXIMUM These keywords define the upper and lower limits for the
MINIMUM relationship represented by the <part 1>, <operator>, and
<part 2> entries. The optimization domain can be restricted
by supplying a value for MINIMUM, a value for MAXIMUM, or
values for both. The solution of the optimization problem may
lie at one of these limits (within tolerance).
Performance Specification (optional)

Specifications define specific values within the flowsheet that must be met (within
tolerance) to obtain an acceptable solution to the optimization problem. Specifications may
be made on design or performance values, including values defined by a CALCULATOR
unit operation.
Note that a specification defines a specific value for a flowsheet value that is not an
optimization variable.
SPEC is a stream or unit specification statement defining an OPTIMIZER requirement.
Specifications may be declared for process streams, internal column streams, and unit
operations.
SPEC <part 1>, <operator>, <part 2>,
Refer to Section 10.4, Specs, Constraints and Objectives, for a discussion of the
generalized specification format.
the SPEC statement.
operation variables available to the SPEC statement.
Optimizer Parameters (optional)

OPTPARAMETER Statement
This statement defines various optimization printout and calculation options. Use only one
OPTPARAMETER statement in an OPTIMIZER unit. All entries on the statement are
optional.
OPTPARAMETER {RETURNUNIT=uid, CYCLES=value},
T T T T T T
{DPRINT=ALL, IPRINT=ALL },
T T U U T T U U
{OPRINT=HISTORY, SVERROR=value},
T T U U T T
{NOSCALE },T T
{COPY or NOCOPY}
T T U U
{BROYDEN=value},
T T

{SHADOW=NONE, BRIEF, or ALL},
T T
{FULL},
T T
{LMODE=0},
T T
{DERIVATIVE},
T T
{ELIM=value, or KEEP=value},
T T T T
{LOCAL=NONE, or TP or TPX or TPXY}

T T U U
RETURNUNIT This keyword specifies the “uid” of the unit that must be calculated
next after the OPTIMIZER has determined a new set of values for
the optimization. With one exception this is determined automatically
by PRO/II and need only be used as an override in special
circumstances. The one exception is when the OPTIMIZER is
varying thermodynamic parameters. In this case, a RETURNUNIT is
required, since PRO/II cannot determine which units are affected by
the change in the thermodynamic parameters.
CYCLES This keyword defines the maximum number of optimization cycles
allowed. The default value is 18 plus the number of variables to be
optimized.
DPRINT This keyword controls the intermediate printout level for derivatives in
the history and log files. Valid keyword arguments for the DPRINT
option are:
NONE When this keyword is used, PRO/II does not print
intermediate derivative values in the history file. This is
the default if the DPRINT keyword is not given.
FINAL FINAL causes PRO/II to print a history of derivatives at
the end of the final cycle only. This is useful when the
OPTIMIZER is embedded in an external recycle or
control loop.
ALL When ALL is used, PRO/II prints a summary of
derivatives after every cycle. This is the default if
DPRINT is used with a keyword entry.
IPRINT The IPRINT keyword controls the intermediate printout level for
optimization variables in the history and log files for the problem.
Valid keyword arguments for this option are:
NONE PRO/II does not print intermediate values, except for
the objective function, in the history file. This is the
default if the IPRINT keyword is not given.
FINAL This argument causes PRO/II to print a history of values
at the end of the final cycle only. This is useful when the
OPTIMIZER is embedded in an external recycle or
control loop.
ALL When the ALL argument is used, PRO/II prints a
summary after every cycle. This is the default if IPRINT
is used without a keyword entry.

Regardless of the value given for IPRINT, this option will
automatically revert to the DPRINT keyword entry if DPRINT is
greater than IPRINT in the following hierarchy of arguments:
ALL > FINAL > NONE
The DPRINT keyword with no entries controls the IPRINT

option.
OPRINT This keyword controls the printout level at final output time. Valid
keyword arguments for the OPRINT option are:
BRIEF The presence of this keyword argument suppresses
printing of the history output.
HISTORY This argument causes PRO/II to print a brief output plus
a history of optimization values. This is the default
value.
ALL The ALL keyword causes printing of the HISTORY level
of output plus a history of derivatives and shadow
prices.
Shadow prices, which are meaningful only at the

solution of the flowsheet optimization, provide an
estimate of the sensitivity of the objective function to the
constraints, the performance specification and the limits
on the variables. Positive shadow prices indicate that
increasing the value of MINI or MAXI (variables or
constraints) or the value of VALUE (specifications) will
increase the objective function further. Conversely,
negative shadow prices indicate that the objective
function will decrease if the corresponding MINI, MAXI
or VALUE is increased. For a detailed discussion of
shadow prices please consult the PRO/II Reference
Manual.
NOSCALE The use of this keyword suppresses all scaling of the optimization
variables.
SVERROR A measure of the accuracy of the current scaled solution (Kuhn-
Tucker error). The default value is 1.E-7. Frequently, the
OPTIMIZER will satisfy one of the other convergence criteria before
achieving this accuracy.
COPY The COPY keyword is used to save the entire PRO/II database at
or each OPTIMIZER base cycle. This prevents hysteresis effects in the
NOCOPY derivatives for better accuracy. The default is NOCOPY.

BROYDEN This keyword specifies the cycle number at which Broyden updating
begins. The cycle number has to be a positive integer, greater than
2. If the keyword BROYDEN is not entered, the option is not
activated. If the keyword is entered but no value is supplied, Broyden
update starts at the third cycle.
SHADOW This option allows the user to control the level of printout on the
shadow prices or Lagrange multipliers (weights on the specifications
and constraints).
For maximization problems, a positive shadow price

indicates that the constraint is being pushed against its upper
bounds, a negative shadow prices indicates that the lower bound is
still active, and a zero shadow price indicates that the constraint
does not affect the solution.
NONE When this keyword is used, PRO/II does not print the
shadow prices or Lagrange multipliers.
BRIEF This produces a separate output report with the same
file name as the input file (with a .SHD extension)
containing printout of the shadow prices of the
variables, specifications, and constraints; at the final
optimizer solution.
ALL This produces a separate output report with the same
file name as the input file (with a .SHD extension)
containing a detailed summary of the final optimizer
solution. This summary includes the values of the
objective function, all variables, specifications, and
constraints, along with the shadow prices for all active
bounds and constraints.
FULL This overrides any previously defined steps on the variables and
causes full steps to be taken in all the variables (i.e., 90% of the
distance to the bounds).
The FULL keyword ensures that a full step is taken during an

optimization cycle. The FULL keyword should only be applied on a
tightly constrained problem that has a good initial point available.
Using poor estimates with the FULL keyword can cause the
optimizer to fail, even though the optimization problem is solved
under other set of specification. Also refer to keyword STEPSIZE.
LMODE This keyword invokes the line search mode method, i.e., an optimizer
cycle is finished as soon as there is a sufficient reduction in the
objective function along the search direction. The optimizer takes this
new point to estimate the new set of derivatives. This feature is

useful if there are a large number of variables being optimized. The
purpose of LMODE is to reduce the number of perturbation
calculation, thus reducing the overall execution time.
0 This turns off the line search mode option.
N This number must be an integer greater than or equal to
1 and specifies the maximum number of line search
trials in any optimizer cycle.
DERIVATIVE This option produces a printout of an analysis of the derivative step
sizes for every cycle and suggests a modified perturbation step size,
if appropriate.
ELIM This keyword allows the user to enter the number of variables to be
eliminated. The entry must be a positive integer. It is strongly
recommended that this keyword is only used in conjunction with
BROYDEN. Convergence of the specifications and constraints may
not be possible otherwise.
The elimination procedure is based on the derivative

analysis. The variables that are eliminated are those whose
derivatives were the smallest during cycle one. For those variables
that were eliminated, the perturbations are skipped on the second
and subsequent cycles, since derivatives from the first optimization
cycle are reused.
KEEP This keyword allows the user to enter the number of variables to be
kept. The entry must be a positive integer. It is strongly
recommended that this keyword is only used in conjunction with
BROYDEN. Convergence of the specifications and constraints may
not be possible otherwise.
LOCAL This option allows the user to specify the use of local thermodynamic
models during perturbation versus the rigorous thermodynamic
calculation models used by default.
NONE This is the default if no keyword is supplied. Rigorous
thermodynamic calculation methods are used during
the flowsheet convergence and optimization.
TP This option generates the local K-value models, which
account for temperature and pressure derivatives.
TPX This option generates the local K-value models, which
account for temperature, pressure, and liquid
composition derivatives.
TPXY This option generates the local K-value models, which
account for temperature, pressure, and liquid and vapor
composition derivatives.

Thermodynamics calculations typically constitute a significant portion of the computational
effort of a flowsheet simulation. In particular, much time is spent on determining rigorous
K-values during flash calculations. To reduce this overhead, a simple local thermodynamic
method can be used in a perturbation during the flowsheet optimization. Therefore, during
a flowsheet optimization, the base case is converged using rigorous thermodynamics
calculations. The converged state properties (temperature, pressure and composition) of
the various units are used to generate the local thermodynamic model, which is then used
for all perturbation calculations for the current optimization cycle. The premise is that each
perturbation calculation represents only a small departure of the state variables from their
base case value and hence the local models should provide an adequate representation
of the thermodynamic behavior.
TP models are found to be adequate for streams whose properties are not strong
functions of composition.
TPX models are found to be adequate for streams whose properties are strong functions
of liquid composition.
TPXY models are found to be adequate for streams whose properties are strong functions
of liquid and vapor composition.
Examples
1: Deethanizer Operating Profit Optimization
The following example shows the optimization of the flowsheet shown in Figure 17.3-1.
Only selected parts of the input data stream are shown.

Figure 17.3-1: Optimization Example
TITLE PROB=OPTIMIZE,PROJ=DEETHANIZER, &
USER=SIMSCI
...
COMPONENT DATA
...
THERMO DATA
...
STREAM DATA
PROP STREAM=F1,...
PROP STREAM=F2,...
PROP STREAM=3,...
UNIT OPS DATA
FLASH UID=E2,NAME=F2 HEATER
FEED F2
PROD M=2
ISOT TEMP=60,PRES=258.5
FLASH UID=E3,NAME=F1 HEATER

FEED F1
PROD M=1
ISOT TEMP=140,PRES=259
COLUMN UID=C1,...
...
FEED 1,9/2,8/3,1
HEAT 1,4,-0.6/2,6,-0.5/3,9,1.06/4,20,12.0
...
SPEC STREAM=4,COMP=5,FRAC,VALUE=0.06
SPEC STREAM=5,COMP=4,FRAC,VALUE=0.005
VARI HEAT=4,FEED=3
$
$ THE FOLLOWING CALCULATOR COMPUTES THE PROFIT
$
CALCULATOR UID=CAL1
...
DEFINE P(1),AS,FLASH=E2,DUTY
DEFINE P(3),AS,COLUMN=C1,DUTY(4)
DEFINE P (4),AS,STREAM=3,RATE
DEFINE P (5),AS,STREAM=4,RATE
DEFINE P (6),AS,FLASH=E2,TEMP
DEFINE P (7),AS,FLASH=E3,TEMP
...
PROCEDURE
...
R(7)=V(5) - V(1)

...
RETURN
OPTIMIZER UID=OPT1,NAME=OPT TEST
OBJECTIVE CALCULATOR=CAL1,R(7),MAXIMIZE
VARY FLASH=E2,TEMP,MINI=35,MAXI=85
VARY FLASH=E3,TEMP,MINI=70,MAXI=140
OPTPARAMETER IPRINT=FINAL
END
The overall profit is computed by the CALCULATOR and stored in R(7). This becomes the
objective function in the OPTIMIZER. The temperature of the two feed heater outlets are
the optimization variables. (Flash drums are used as the feed heater/coolers. Unlike
PRO/II heat exchangers, the FLASH duty takes on a sign. This is important because it is
not known if the feeds are to be heated or cooled, and the cost of heating is different from
the cost of cooling.)
The minimum and maximum temperatures are given, and a history of optimization values
is printed at the end of the final cycle.
2: Feed Tray Optimization

The following example illustrates a feed tray optimization. The objective is to minimize the
reboiler duty. Only selected parts of the input data are shown.
COLUMN UID=C1
...
FEED 5,4
...
OPTIMIZER UID=OPT1
OBJECTIVE COLUMN=C1,DUTY(2),MINIMIZE
VARY COLUMN=C1,FTRAY(1),MINI=3, MAXI=10,STEP=2
OPTPARAMETER IPRINT=ALL
The feed is onto tray 4 for the base case. The allowable limits for the feed tray location are
no higher than tray 3 and no lower than tray 10. The maximum step size allowed is 2 trays
at a time. This is to prevent the OPTIMIZER from taking too large a step and having the
column fail to solve. The second estimate for the feed location is tray 5. OPTIMIZER
results are printed after every cycle.
3: Gas Plant Optimization

This example shows the optimization of a typical gas plant, a schematic of which is shown
in Figure 17.3-2. The overall operating cost of the chillers, reboilers, lean oil, lean oil loss,
air cooling, and pumping is computed in the CALCULATOR. The value of the products is
also calculated. Only selected parts of the input data are shown.

Figure 17.3-2 Gas Plant Optimization Flowsheet
TITLE PROBLEM=TEST,PROJECT=LO PLANT

...
COMPONENT DATA
LIBID 1,N2/2,CO2/3,C1/4,C2/5,C3/6,IC4/7,NC4/ &
8,IC5/9,NC5/10,NC6
PETRO 11,LEAN OIL,142.9,61.5,340
THERMO DATA
...
STREAM DATA
...
UNIT OPS DATA
HX UID=8101,NAME=GAS-GAS EXCH
...
FLASH UID=8103,NAME=C3 REFRIG
...
COLUMN UID=8104,NAME=ABSORBER
...
FLASH UID=8110,NAME=RO FLASH

...
HX UID=8109,NAME=DEC2 FEED
...
SPLITTER UID=FRC0,NAME=LEVIS
...
FLASH UID=F1,NAME=SET TEMP
...
PUMP UID=PUM1
...
SPLITTER UID=FRC1,NAME=LO SPLIT
...
COLUMN UID=8111,NAME=RO DEC2
...
HX UID=8106,NAME=TOP HEATER
...
HX UID=8105,NAME=MID HEATER
...
HX UID=8108,NAME=LOWER HEATER
...
HX UID=E111,NAME=ROF FEED
...
COLUMN UID=8114,NAME=RO FRAC
...
FLASH UID=8107,NAME=LO COOLER
...
FLASH UID=E110,NAME=LO CHILLER
...
$
$ CALCULATOR TO GET PROFIT
$
CALCULATOR UID=CAL1
$ REFRIGERANT USED MMBTU
DEFINE P(1),AS,FLASH=8103,DUTY
DEFINE P(2),AS,COLUMN=8111,DUTY(1)
$ FUEL FIRED MMBTU
$ FUEL FIRED MMBTU
$ FUEL GAS PRODUCT MOLES
DEFINE P(6),AS,STREAM=13,RATE

$ FUEL GAS PRODUCT MOLES
$ DRY GAS PRODUCT MOLES
$ LO IN DRY GAS MOLES
DEFINE P(9),AS,STREAM=4,COMP=11,RATE
$ PROPANE PRODUCT MOLES
DEFINE P(10),AS,STREAM=16,COMP=5,RATE
$ GASOLINE PRODUCT MOLES
DEFINE P(11),AS,STREAM=16,COMP=6,11,RATE
$ PUMP WORK HP
DEFINE P(12),AS,PUMP=PUM1,WORK
$ AIR COOLER MMBTU
DEFINE P(13),AS,FLASH=8107,DUTY
PROCEDURE
...
$
$ EVALUATE FUNCTION TO MINIMIZE
$
...
$ OPERATING COSTS MINUS SALES VALUE
R(3) = R(1) - R(2)
RETURN
OPTIMIZER UID=OPT1
OBJECTIVE CALCULATOR=CAL1,RESULT(3),MINIMIZE
VARY SPLITTER=FRC1,SPEC,MINI=0.7, MAXI=0.9
VARY FLASH=F1,TEMP,MINI=-20., MAXI=0.005
VARY FLASH=8103,TEMP,MINI=-20., MAXI=0.005
VARY SPLITTER=FRC0,SPEC,MINI=45000.0, &
MAXI=55000.0
VARY FLASH=8110,PRES,MINI=260, MAXI=450
OPTPARAMETER IPRINT=ALL, CYCLES=10
RECYCLE
ACCELERATE TYPE=WEGS,START=3
END

In this example, there are five (5) optimization variables:
1. The lean oil split between the absorber and the deethanizer.
2. Chiller F1 outlet temperature.
3. Chiller 8103 outlet temperature.
4. The total lean oil circulation rate.
5. Flash drum 8110 pressure.
The objective function is the total profit as calculated in the CALCULATOR and stored in
R(3).


17.4 – RECYCLE
U
Keyword Summary
RECYCLE DATA
Recycle Acceleration (optional)

ACCELERATION TYPE=WEGSTEIN, START=2, FREQUENCY=1,
WEGL=-5.0, WEGU=0.0, {STREAM=sid,sid, ...}
or
ACCELERATION TYPE=BROYDEN, START=2, {STREAM=sid,sid, ...}
Recycle Loop Definition (optional)

LOOP NO=idno, START=uid, END=uid, TRIAL=20,
{WEGSTEIN=istart, ifreq, ql, qu or BROYDEN=istart},
TOLERANCE=0.01,-1.0,0.01,0.01
General Information
PRO/II solves a flowsheet in a sequential fashion; that is, it calculates one unit operation
at a time. The calculational sequence is determined by the method selected on the
SEQUENCE statement in the General Data Category. Based on this sequence method,
the PRO/II loop analyzer will evaluate the flowsheet topology and determine all recycle
streams and the unit operations to be calculated in each loop. The recycle tolerances and
maximum recycle trials for each recycle are automatically set. In many recycle problems,
there are alternative recycle looping schemes that could be used, and in PRO/II the user
is allowed to impose his own loop scheme, employ acceleration techniques, and select the
convergence tolerance desired.
A rudimentary summary of recycle concepts in PRO/II is given below. Refer to the PRO/II
Reference Manual for an in-depth discussion of recycle handling considerations and
techniques.
Mass and Energy Recycles

This is the most commonly encountered form of recycle in flowsheeting. It involves
convergence on the recycle stream rate, composition, and thermal conditions as illustrated
below.

Chapter 17.4 RECYCLE 771

Figure 17.4-1 – Mass and Energy Recycles
For this type of a flowsheet, the user generally will supply an estimate for the composition
and thermal conditions of the recycle or “tear” stream 4. Although PRO/II may not
necessarily need this, the better the estimate, the faster the convergence. PRO/II will then
solve units A, B, and C in sequence. At unit C, the recycle stream 4 will be updated with
new component flowrates and thermal conditions.
PRO/II compares every stream in the recycle loop against values stored for the previous
iteration. If all component flows, temperature, and pressure are within tolerance the same
in consecutive iterations, the recycle is converged and PRO/II proceeds to the next unit
operation. At the user’s option, PRO/II may be set to test only the tear streams for
convergence. This option is given in the General Data category on the CALCULATION
statement.
Thermal Recycles
This form of recycle is illustrated below. In this case, only the convergence of stream
thermal conditions is involved, since the stream rate and the composition are known.
Figure 17.4-2 – Thermal Recycles

This type of recycle is typically found in heat exchanger networks, and depending on how
the user selects the heat exchanger outlet conditions, the recycle calculation may be
eliminated. There is also a special technique in PRO/II employing “reference streams”,
which can greatly enhance convergence in this type of applications. Refer to Section 9.3,
Reference Streams, for more information.
Columns with Sidestrippers or Attached Heat Exchangers

PRO/II columns and attached sidestrippers or siderectifiers using the IO algorithms are
merged into a single column for calculation purposes, essentially eliminating the recycle.
See the Section 12.2 and the PRO/II Reference Manual for further information.
For SURE columns, PRO/II employs a special set of heuristics to take advantage of the
close relationship of columns with side columns. This significantly reduces the amount of
CPU required to obtain a solution. These heuristics are also used by all three column
algorithms (IO, SURE, and CHEMDIST) to converge attached heat exchanger recycle
loops.
Trials
By default, Recycle loops are allowed 20 recycle iterations or “trials”. This value may be
set globally on the CALCULATIONS statement in the General Data category. It may also
be set for each defined recycle loop in the Recycle Data category, as documented in this
section.
Tolerances
Stream tolerances are defined in Section 5, General Data. Tolerances may be set
globally in the General Data category or individually for each recycle loop.
For nested recycles, always use tighter tolerances for inner loops. External calculational
loops (including controllers, optimizers, as well as recycles) usually have trouble
converging, unless internal loops solve with consistent response curves.
Acceleration
The default method of recycle convergence in PRO/II is direct substitution. In this case,
the assumed recycle stream composition, rate, and thermal conditions are directly
replaced with the newly calculated values on each trial through the loop. The method is
generally stable, but can sometimes be computationally slow and approach convergence
asymptotically. When a recycle loop with asymptotic characteristics does reach solution
within the given stream tolerances, it is sometimes a poor one because stream variables
can, with a large number of trials, still end up a considerable distance from the
“converged” solution.
The Wegstein acceleration technique permits rapid solution of recycles with asymptotic
convergence characteristics. The Wegstein has an acceleration factor, “q”, based on the
convergence characteristics shown by previous iterations. The factor “q” is calculated
based on stream values computed in previous iteration trials. A negative value of “q”
results in acceleration. The more negative, the faster the acceleration, but the more likely

the convergence path will be unstable. Damping of oscillating models is also possible with
Wegstein, by forcing “q” to be between 0.0 and 1.0.
TABLE 17.4-1
WEGSTEIN ACCELERATION
q Acceleration
1.0 Complete damping. Recycle streams never change.
0.0 < q < 1.0 Damping. This will help converge recycles with
oscillating convergence patterns.
0.0 Direct substitution
-100 < q < 0.0 Accelerating convergence
TABLE 17.4-2
RECOMMENDED LOWER AND UPPER LIMITS FOR THE
WEGSTEIN ACCELERATION FACTOR
Lower Limit, Upper Limit, Description
ql B B quB B
-50 0 Use these values if the recycle shows

stable convergence characteristics.
-5 0 The default. This will work for most

recycle problems.
0.5 0.5 Use these values for problems with

oscillating convergence. It may require
some experimentation with different qi B B
and qu values to arrive at the optimum

B B
result.
The user may change the upper and lower bounds globally for all recycle loops on the
ACCELERATION statement or individually for each loop on the LOOP statement.
The Broyden acceleration technique, based on the “Householder” method allows for rapid,
stable solution of recycle loops.
See the PRO/II Reference Manual for a more in-depth discussion on the Wegstein and
Broyden acceleration techniques.

Input Description
Category Heading (required when recycle data given)
RECYCLE DATA
This statement implements user control of recycle loops. It must be the first statement in
this section.
Recycle Acceleration (optional)

The ACCELERATION Statement
The ACCELERATION statement applies recycle acceleration to selected streams. Any
number of streams may be accelerated.
ACCELERATION TYPE=WEGSTEIN, START=2, FREQUENCY=1,
WEGL=-5.0, WEGU=0.0, {STREAM=sid,sid, ...}
or
ACCELERATION TYPE=BROYDEN, START=2, {STREAM=sid,sid, ...}
TYPE This keyword specifies the acceleration technique to be
used. The WEGSTEIN technique or BROYDEN
method may be declared for recycle acceleration. By
default, the direct replacement method is used if the
ACCELERATION statement is absent.
START This defines the recycle trial after which acceleration is
to start. The default value is 2. The maximum
allowable value is 10.
FREQUENCY This is the trial interval in which to apply acceleration. A
value of 1 applies acceleration to every recycle trial; a
value of 2 applies acceleration to every other trial and
so on. The default value is 1.
WEGL, These keywords set the lower and upper bounds of the
WEGU acceleration factor, “q”. The default values are -5.0 and
0.0, respectively. The user may influence the
convergence path by resetting these values. See Table
17.4-2.
STREAM STREAM may be used to define the streams to
accelerate. The default is to accelerate all recycle (tear)
streams. Note that accelerating non-tear streams will
have no effect on the convergence path.

Recycle Loop Definition (optional)
The LOOP Statement
The LOOP statement allows the user to override the recycle sequence determined by
PRO/II for nested or interconnected loops, or to apply acceleration techniques to selected
loops, or to specify recycle loop convergence tolerances. If any loop is defined, all loops
must be defined. The LOOP statement cannot be used if the SIMSCI method is chosen on
the SEQUENCE statement.
LOOP NO=idno, START=uid, END=uid, TRIAL=20,
{WEGSTEIN=istart, ifreq, ql, qu or BROYDEN=istart},
TOLERANCE=0.01,-1.0,0.01,0.01NO
NO This is the user-assigned loop number. Loops must be

numbered sequentially beginning with 1. The loops will be
calculated in the numbered order. Since an inner loop is
converged prior to calculating the complete outer loop, it should
be listed before the outer loop.
START This is the unit ID (uid) of the first unit in the loop. Recycle
loops may not begin with a controller, MVC, or optimizer.
END This keyword specifies the unit ID (uid) of the last unit in the
loop. Recycle loops may end with a controller, MVC, or
optimizer.
The NO, START, and END keywords must always be given

when defining loops.
TRIAL The maximum number of recycle trials is specified with this
keyword. For embedded or interconnected loops, this value
represents the number of trials per pass. Its default value is 20
or the value given by the CALC TRIAL entry in the General
Data Category of the input stream.
WEGSTEIN The presence of this keyword indicates that the Wegstein
acceleration technique is to be used. As described above for
the ACCELERATION statement, the four optional entries on
this statement are istart, ifreq, ql, and qu, which have the same
meaning as the entries for START, FREQUENCY, WEGL, and
WEGU, respectively. The defaults are the values given on the
ACCELERATION statement, or the ACCELERATION statement
defaults.
BROYDEN The presence of this keyword indicates that the BROYDEN
acceleration method is to be used. The only optional entry on
this statement is istart, which defines the recycle trial after
which acceleration is to start. The default is the value given on
the ACCELERATION statement, or the ACCELERATION
statement default.

TOLERANCE Use this keyword to define the recycle convergence tolerances
a, b, c, and d for the streams present in this recycle loop. By
convention, positive values are relative, and negative values
are absolute. If not given, the values default to the numbers
shown in Table 17.4-3 or to the values supplied by the user on
the TOLERANCE STREAM entries in the General Data
Category.
TABLE 17.4-3
DEFAULT STREAM TOLERANCES
Entry Default Description
a 0.01 Relative component tolerance
b -1.00 Absolute temperature tolerance (F)
c 0.01 Threshold concentration
d 0.01 Relative pressure tolerance
Examples
1: Accelerate All Recycle Loops
RECYCLE DATA
ACCELERATION TYPE=WEGS
PRO/II automatically determines the recycle loop calculational sequence. After the first
trial, Wegstein acceleration is used on all tear streams for every subsequent trial. The
values for the lower and upper limits of the acceleration factor default to -5.0 and 0.0,
respectively.
2: Acceleration in Stable Recycles

PRO/II automatically determines the recycle loop calculational sequence. Wegstein
acceleration is used on all tear streams for every iteration. The upper limit of the
acceleration factor is the default value of 0.0, while the lower limit is
-50.
RECYCLE
ACCE TYPE=WEGS,WEGL=-50

3: Defining Loops
The user specified three recycle loops: the first loop starts with unit F100 and ends with
unit E101 and is allowed a maximum of 20 trials; the second loop starts with unit F101 and
ends with unit E201; and the third loop starts with unit E401 and ends with unit T101.
Wegstein acceleration on loop 2 begins at trial 6 and is applied every 3 trials. The lower
limit for q is -50, the upper limit is 0. No acceleration techniques are used for loops 1 and
3. For loop 3, the component and temperature tolerances are 0.001 (relative) and -0.1
(absolute), respectively.
RECYCLE
LOOP NO=1, START=F100, END=E101, TRIAL=20
LOOP NO=2, START=F101, END=E201, WEGS,=6,3,-50,0
LOOP NO=3, START=E401, END=T101, TOLE=0.001, -0.1
4: Defining Loops and Acceleration

Recycle loop 1 begins with unit MGL and ends with unit PIG. Streams 1, 10, and 3 are
accelerated using the Wegstein technique beginning with the fourth trial.
RECYCLE DATA
ACCE TYPE=WEGS, START=4, STREAM=1,10,3
LOOP NO=1, START=MGL, END=PIG
5: Defining Multiple Acceleration Methods

Wegstein acceleration is used on the first recycle loop, which begins at unit COL1 and
ends with unit SPL1. Broyden acceleration is used for the second recycle loop beginning
at unit MX1 and ending at unit PU1. The second loop is accelerated beginning at the third
trial. Default values are used for both acceleration methods.
RECYCLE DATA
LOOP NO=1, START=COL1, END=SPL1, WEGSTEIN
LOOP NO=2, START=MX1, END=PU1, BROYDEN

18.1 – RESTART
U
Keyword Summary
Initial Input File Header (required)
TITLE NEWFILE=fileid, CASEID=BASECASE,
{SITE=text, PROBLEM=text},
{PROJECT=text, USER=text, DATE=text}
Restart Input File Header (required)

TITLE OLDFILE=fileid,
NEWCASE Option
Only one NEWCASE section may appear in an input file. If present, NEWCASE
must be the first section of RESTART data in the file.
Case Identification (required)

NEWCASE OLDCASE=caseid, NEWCASE=caseid

DESCRIPTION
TOLERANCE
PRINT
DBASE
Unit Operations for NEWCASE (required)

unit operations data
RESUME Option
RESUME sections may appear multiple times and in any order relative to CASESTUDY
and REPORT sections.

RESUME OLDCASE=caseid, {NEWCASE=caseid}

Chapter 18.1 RESTART 779

DESCRIPTION
TOLERANCE
PRINT
DBASE
COLUMN UID=uid, {ITERATION=max},
{COMPOSITIONS=M, WT},
{INTERMEDIATE=PART or ESTIMATE or ALL or ONE},
U U
{MULTIPLE, PROPTABLES=PART or BRIEF or ALL},

U U U U
{KVALUE, XYDATA}
CASESTUDY Option
CASESTUDY sections may appear multiple times and in any order relative to RESUME
and REPORT sections. CASESTUDY is described in Section 18.2.

CASESTUDY OLDCASE=caseid, NEWCASE=caseid

DESCRIPTION
TOLERANCE
PRINT
DBASE
{INTERMEDIATE=PART or ESTIMATE or ALL or NONE},
U U

U U U U
{KVALUE, XYDATA}
CHANGE
REPORT Option
REPORT sections may appear multiple times and in any order relative to
CASESTUDY and RESUME sections.

REPORT OLDCASE=caseid

Output Options (optional)
DESCRIPTION
PRINT
DBASE
U U U U
{KVALUE, XYDATA}
General Information
RESTART is an executive level feature which allows access to any previously executed
case for a variety of purposes. RESTART allows simple reporting of results, perhaps in
different output formats. The user may interrupt program execution and later RESUME the
interrupted case calculations. The CASESTUDY feature (described separately in Section
18.2) allows parametric studies of problems, while NEWCASE allows replacing unit
operations in existing cases to create new cases. These features provide convenience
and can save significant amounts of user’s time.
Input Description
Input File Header
TITLE NEWFILE=fileid, CASEID=BASECASE,
or
OLDFILE=fileid,
This is the normal TITLE statement as described in Section 5, General Data. The
additional entries NEWFILE, CASEID, and OLDFILE instruct PRO/II to create, save, or
retrieve the database information.
NEWFILE Required on an initial run intended for restarting, NEWFILE
causes PRO/II to save the database files created by the
run. If NEWFILE is not specified, database files normally
are not saved, and cannot be used for restart. Using this
option deletes any existing file having the same name as
one generated from the specified ‘fileid’.
CASEID When an initial run contains the NEWFILE option to create
and save a database, this keyword identifies the first case
in the run. Its argument is a string of up to 12 alphanumeric
characters and may not include blanks. If not given, caseid
defaults to ‘BASECASE’.
OLDFILE This entry informs the program that a ‘RESTART’ run is
beginning. When OLDFILE is used, PRO/II searches for an
existing database file having a name based on the supplied

‘fileid’. If the specified file cannot be found, an error results.
OLDFILE is not allowed on an initial creation run.
field This optional argument identifies the
database files used for data storage and
retrieval. The file names used to save the
database information are based on the
fileid given by this entry. The actual file
name(s) used will vary from computer
system to computer system, but in general
they will be composed of the fileid and one
of several appropriate file name extensions.
The number of files saved will also vary
from two to six, depending upon the
computer system. In some cases, such as
with IBM mainframe systems, the database
files must be declared in the run’s Job
Control Language (JCL) statements.
Contact your SimSci representative for
assistance.
SITE These entries are optional. Refer to Section 5, General
PROBLEM Data, for a complete description.
PROJECT
USER
DATE
NEWCASE Option
NEWCASE OLDCASE=caseid, NEWCASE=caseid
NEWCASE is the first statement in a section of input that continues calculations of an
existing case. NEWCASE requires the replacement of the unit operations in the case
defined by the OLDCASE keyword. When used, ALL unit operations input data must be
replaced; at least one unit operation must be entered. Only one NEWCASE statement
may appear in an input file. If present, NEWCASE must be the first section of RESTART
data in the file.
OLDCASE All stream information from the old case is copied into the
new case. No unit operation data is copied. An error
results if the OLDCASE entry is missing, or if the caseid
argument is missing or invalid. Specifying a nonexistent
case generates an error message.
NEWCASE This entry identifies the new case to create and store. If
absent, an error results. An error also results if NEWCASE
specifies an existing case in the database.
caseid The case identifier.

DESCRIPTION
TOLERANCE
PRINT
DBASE
The DESCRIPTION, TOLERANCE, PRINT, and DBASE statements are the same as
those statements described for the General Data category of input. Refer to Section 5,
General Data, for further information. Any entries given here are local overrides, valid for
this case only.
Unit Operations for NEWCASE

unit operations data
Unit operations data is allowed in a RESTART run only within a NEWCASE section of
input. Any normal unit operations input is allowed. PRO/II uses no unit operations data
from the base case. Refer to Sections 10 through 17.4 for details of the unit operation
entries.
RESUME Option
RESUME sections may appear multiple times and in any order relative to CASE-STUDY
and REPORT sections.

RESUME OLDCASE=caseid, {NEWCASE=caseid}
RESUME is similar to NEWCASE except that it does not allow the replacement of any of
the unit operations in the case defined by the OLDCASE keyword. Otherwise, RESUME
is the first statement in a section of input that continues calculations of an existing case.
All other statements in the RESUME section of input are optional. No changes to case
topology or operating parameters are allowed. Calculations continue using any previous
results as initial estimates. Previous results of the case may be overwritten, or a new case
may be created.

DESCRIPTION
TOLERANCE
PRINT
DBASE
The DESCRIPTION, TOLERANCE, PRINT, and DBASE statements are the same as
those statements described for the General Data category of input. Refer to Section 5,

General Data, for further information. Any entries given here are local overrides, valid for
this case only.
{INTERMEDIATE=PART or ESTIMATE or ALL or NONE},
U U
{PROPTABLES=PART or BRIEF or ALL},

U U
{MULTIPLE},
U U
{KVALUE, XYDATA}
This optional statement applies to a single distillation column. One COLUMN statement is
allowed for each distillation column in the case. It allows resetting the maximum number of
iterations allowed for the column to converge. It also allows changing the options used for
printing intermediate and final results for the column.
UID The COLUMN uid.
ITERATION This entry changes the number of iterations allowed to achieve
convergence.
INTERMEDIATE Refer to Section 12.1, Column Input, for a description of these
COMPOSITION keywords. The INTERMEDIATE entry is the same as the PRINT
MULTIPLE ITER entry in the COLUMN input.
PROPTABLES
KVALUE
XYDATA
CASESTUDY Option
CASESTUDY sections may appear multiple times and in any order relative to RESUME
and REPORT sections. CASE STUDY is described in Section 18.2.
REPORT Option
REPORT sections may appear multiple times, and in any order relative to CASESTUDY
and RESUME sections.
REPORT OLDCASE=caseid
This must be the first statement in a REPORT section of input. It must appear after any
NEWCASE sections. All reports are processed in the order of appearance in the input file
and are executed as they are encountered. Any number of REPORT sections may
appear in a run.
OLDCASE Specifies individual cases to report. No calculations are

performed. An error results if no ‘caseid’ is supplied.

DESCRIPTION
PRINT
DBASE

The DESCRIPTION, PRINT and DBASE statements are the same as those statements
described for the General Data category of input. Refer to Section 5, General Data, for
further information. Any entries given here are local overrides, valid for this case only.
Note that calculation time options are not available in the print option.
Examples
1: Initial Run with REPORT Restart
Initial PRO/II Run - The initial run in this example contains two case studies in addition to
U U
its base case. The base case is named HX1. The first case study uses the base case
HX1 as its starting point and creates a new case named HX2. The second case study
uses case HX2 as its starting point and creates a third case named HX3. The three cases
(HX1, HX2, and HX3) are saved as database file(s) DB2.
TITLE NEWFILE= DB2, CASEID= HX1, PROBLEM= EXAMPLE-2
COMPONENT DATA
LIBID 1, H20 / 2, CO2 / 3, N2 / 4, C1 / 5, C2
THERMO DATA
METHODS SYSTEM= SRK, DENS(L)= API
STREAM DATA
PROP STREAM= C1, RATE= 1000, TEMP= 52, &
PRES= 180.3, COMP= 2, 45 / 32 / 700 / 223
PROP STREAM= 2, RATE= 2110, TEMP= 190, &
PRES= 83, COMP= 1, 2110
UNIT DATA
FLASH UID= F1
FEED 2
PROD V= 10, L= H1
ADIA PRES= 75, DUTY=22.1
HX UID= H1
HOT FEED= H1, L= H2, DP=8
COLD FEED= C1, M= C2, DP= 15
CONFIG U= 125, TPASS= 4, SPASS= 2
OPERATION CTEMP= 100
CASESTUDY OLDCASE= HX1, NEWCASE= HX2
CHANGE FLASH= F1, PRES, VALUE= 60
CHANGE HX= H1, CTEMP, VALUE= 110
CHANGE HX= H1, CTEMP, VALUE= 120
CHANGE HX= H1, HDP, VALUE= 10
CHANGE HX= H1, CDP, VALUE= 10
Restarted PRO/II Run - The restart run in this example prints three reports, one report for
U U
each of the three cases (HX1, HX2, and HX3) from the database file DB2.
TITLE OLDFILE= DB2, PROBLEM= R6, PROJECT= RESTART
REPORT OLDCASE= HX1
REPORT OLDCASE= HX2
REPORT OLDCASE= HX3

2: Base Case Creation and RESUME Restart
Initial PRO/II Run - The initial run in this example creates a case named C01 and saves
U U
the database file DB3.

TITLE NEWFILE= DB3, CASEID= C01
COMPONENT DATA
LIBID 1, H2 / 2, C1 / 3, ETHENE / 4, C2 / 5, &
5, PROPENE / 6, C3 / 7, BUTANE / 8, HEXANE
THERMO DATA
METH SYST= SRK, DENS(L)= API
STREAM DATA
PROP STREAM= 5, TEMP= -30, PRES= 445, &
COMP= 2400 / 1000 / 2700 / 1900 / 180 / 85 / 40 / 13
COLUMN UID= C1
PARA TRAY= 15, IO= 2
FEED 5, 4
PROD OVHD= 6, 8000, BTMS= 7
COND TYPE= 1, PRES= 425
PRES 2, 430 / 15, 439
DUTY 1, 1 / 2, 15
SPEC STREAM= 6, RATE,value= 8000
SPEC RRATIO,value= 1.0
VARY DUTY= 1, 2
ESTI MODEL= 1, RRATIO= 1
Restarted PRO/II Run - The restart run uses case C01 from database file DB3 as its
U U
starting point and creates a new case, C01R. The two cases (C01 and C01R) are saved
as database file DB3.
TITLE OLDFILE= DB3
RESUME NEWCASE= C01R, OLDCASE= C01
COLUMN UID= C1, ITERATIONS= 10
3: Initial Run with NEWCASE Restart

Initial PRO/II Run - The initial run in this example creates one case named HX1 and saves
U U
the run as database file DB2. Note that the problem has two unit operations, a flash unit
and a heat exchanger.
TITLE NEWFILE= DB2, CASEID= HX1, PROBLEM= EXAMPLE-2
COMPONENT DATA
LIBID 1, H20 / 2, CO2 / 3, N2 / 4, C1 / 5, C2
THERMO DATA
METHODS SYSTEM= SRK, DENS(L)= API
STREAM DATA
PRES= 180.3, COMP= 2, 45 / 32 / 700 / 223
PRES= 83, COMP= 1, 2110
UNIT DATA
FLASH UID= F1

FEED 2
PROD V= 10, L= H1
ADIA PRES= 75, DUTY=22.1
HX UID= HX1
HOT FEED= H1, L= H2, DP= 8
COLD FEED= 1, M= C2, DP= 15
Restarted PRO/II Run - The restart of this problem uses the case HX1 from existing
U U
database file DB2 as its starting point. Note that since the NEWCASE statement is used,
unit operations input is included for the flash unit and heat exchanger in the original
problem. A new case, LNG1, is added to the database file. In addition, two case studies
(HX2 and LNG2) are added to the database file. Finally, the original base case (HX1) is
reprinted.
TITLE OLDFILE= DB2, PROBLEM= R1, PROJECT= RESTART
NEWCASE OLDCASE= HX1, NEWCASE= LNG1
UNIT OPS
LNGHX UID= LNG1
HOT FEED= 2, L= H2, DP= 8,
COLD FEED= 1, M= C2, DP= 15, NUMBER= 1, TOUT= 100
FLASH UID= F1
FEED H2
PROD V= 10, L= H1
ADIA PRES= 75
DEFINE DUTY, AS, LNGHX= LNG1, DUTY (1)
HX UID= HX1
HOT FEED= H1, L= H3, DP= 8
COLD FEED= 1, M= C3, DP= 15
CHANGE HX= HX1, CTEMP, VALUE= 110
CASESTUDY OLDCASE= LNG1, NEWCASE= LNG2
CHANGE LNGHX= LNG1, TOUT(1), VALUE= 110
REPORT OLDCASE= HX1

18.2 – CASE STUDY
U
Keyword Summary
Initial Input Case Header (required)
TITLECASEID=BASECASE, {SITE=text*12, PROBLEM=text*12},
{PROJECT=text*12, USER=text*12, DATE=text*12}
The TITLE statement must be the first statement in the input file. Follow with normal
PRO/II input statements that fully define the problem flowsheet. Include sections for
COMPONENT, STREAM, THERMODYNAMICS, and UNIT OPERATIONS categories of
input.
Optionally, you can include data for the RXDATA, PROCEDURE DATA, and RECYCLE
DATA categories of input. All case study data should appear last in the input file. Refer to
Table 3-1 for proper ordering of data in a normal input file. In addition, refer to the
Guidelines section later in this chapter, and section 18.1, Restart, for special
considerations when case study is included in a restart file.
Starting a Case Study (required)

CASESTUDY OLDCASE=caseid*12, NEWCASE=caseid*12
Modifying Parameter Values (optional)

On a stream:
CHANGE {ID= id*12}, STREAM=sid*12, <parameter>, VALUE=value,
{NAME=text*40}
CHANGE {ID= id*12}, <unit type>=uid*12, <parameter>, VALUE=value
{NAME=text*40}
CHANGE {ID= id*12}, THERM=setid*12, <parameter>, VALUE=value
{NAME=text*40}
Performing Parametric Studies (optional)

On a stream:
PARAMETER {ID=id*12}, STREAM=sid*12, <parameter>,
STEPVALUE(ACTUAL, FRACTION, PERCENT)= value,
U U
{STARTVALUE(ACTUAL, FRACTION, PERCENT,

U U
RELATIVE)= value},
{CYCLES= 1, 1}, {NAME=text*40}

Chapter 18.2 CASE STUDY 789

PARAMETER {ID=id*12}, <unit type>=uid*12, <parameter>,
U U

U U
RELATIVE)= value},
PARAMETER {ID=id*12}, THERM=setid*12, <parameter>,
U U

U U
RELATIVE)= value},
Declaring Results to be Reported (optional)

On a stream:
RESULT {ID=id*12}, STREAM=sid*12, <parameter>, {operator,
<reference>}, {NAME=text*40}
RESULT {ID=id*12}, <unit type>=uid*12, <parameter>, {operator,
RESULT {ID=id*12}, THERM=setid*12, <parameter>, {operator,

COLUMNUID=uid*12, {ITER=max}, {COMPOSITION=M, WT},
INTERMEDIATE=PART or ESTIMATE or ALL or NONE,
U U
{MULTIPLE}, PROPTABLES= PART or BRIEF or ALL, U U
{KVALUE}, {XYDATA}
TOLERANCE (optional, see Chapter 5, General Data)
DESCRIPTION (optional, see Chapter 5, General Data)
PRINT (optional, see Chapter 5, General Data)
DBASE (optional, see Chapter 5, General Data)

General Information
Case Study is an executive level feature that allows the user to create, execute, and
analyze parametric cases of a single flowsheet by selectively altering the values of
flowsheet parameters and then solving the flowsheet using the new values. Any number
of case studies may appear in a single input file. Each case study is based on a
preexisting solved case called the “old case” that serves to define the initial state of the
flowsheet for the case study. Using CHANGE statements, the user may differentiate the
initial state of the case study from the old case. While all case studies may be based on
the same old case, it is also permitted for each case study to be based on a different old
case. Therefore, the user is required to identify the old case on the CASESTUDY
statement of each case study.
Case study does not allow replacing unit operations, streams, or thermodynamic
method sets in the flowsheet. All these are fully defined by the old case.
Each case study executes and solves the flowsheet at least once. Each execution of the
flowsheet is called a “cycle.” The initial state of each case study often is referred to as the
“base cycle” or “cycle zero”. When no CHANGE statements are present, the state of case
study base cycle is identical to the state of the old case. CHANGE statements accept a
single value that is applied to cycle zero and remains invariant for all parametric cycles in
the case study.
The user may employ PARAMETER statements to modify the values of flowsheet
parameters and perform parametric studies within each case study. PARAMETER
statements never modify the base cycle; they apply only to the parametric cycles. The
current limit on the number of cycles is 3000, although memory and disk storage
availability may impose a lower practical limit. By defining an incremental step value, an
optional starting value, and an optional starting and ending cycle number on each
PARAMETER statement, the user controls each flowsheet parameter individually in each
cycle.
Using RESULT statements, the user may retrieve, store, and display computed flowsheet
values of interest in every cycle. Usually, RESULTs are selected to reflect and
demonstrate the effect of PARAMETER statements. In general then, PARAMETER
statements allow the user to control and modify independent variables (supplied by the
user) that are invariant in the initial flowsheet. RESULT statements, on the other hand,
identify dependent flowsheet quantities that are calculated in the course of solving the
flowsheet. Chapter 10.3, Flowsheet Parameters, Table 10.3-2 A-B lists all stream
parameters and Table 10.3-3 A-H lists all unit operation parameters available on
PARAMETER statements. Table 10.3-3l lists all thermodynamic parameters available on
PARAMETER statements.
For each parametric cycle, only the PARAMETER and RESULT values are saved.
(CHANGE values also are reported but remain invariant.) These values are reported in the
Case Study Summary section of the output report. Except for the PARAMETER and
RESULT values, all flowsheet data for each cycle is discarded and permanently lost.
However, complete flowsheet data is saved and reported for the base cycle. The base
cycle represents the final state of the flowsheet after completion of all parametric cycle

calculations. This final state then may be selected to serve as the old case upon which
one or more subsequent case studies are built.
The sequence of execution and a procedure for creating a case study input file are
described in the Guidelines section later in this chapter.
Input Description
Initial Case Header (required)
TITLECASEID=BASECASE,
SITE=text*12, PROBLEM=text*12},
{PROJECT=text*12, USER=text*12, DATE=text*12}
Every PRO/II keyword input file requires a single TITLE statement as the first statement of
input data. Normally, a complete self-contained flowsheet definition, called the ‘’base
case,’’ must follow the TITLE statement. The base case is defined by following the normal
input conventions of PRO/II. Case study data may appear only after the end of all base
case data.
A ‘’RESTART’’ file does not include a base case. Refer to Chapter 18.1, Restart,
for a description of using case study in a restart file.
CASEID This entry assigns an identifier of up to 12 characters to the base
(required) case. The CASEID entry is required to identify the base case so it
can be used as the basis (old case) of a subsequent case study. If
CASEID appears alone with the identifier entry omitted, the base
case identifier defaults to ‘’BASECASE.’’
A RESTART input file does not define an initial base case,

so CASEID should not appear on the TITLE statement of a
RESTART input file, even when the RESTART file includes case
studies.
SITE All these entries are optional. Refer to Chapter 5, General Data, for
PROBLEM more information.
PROJECT
USER
DATE

CASESTUDY OLDCASE=caseid*12, NEWCASE=caseid*12
CASESTUDY must be the first statement in each case study section of input data. Both
the OLDCASE and NEWCASE entries are required. An unlimited number of
CASESTUDY statements may appear in an input file. Refer to Table 3-1 for information
about the correct ordering of data in an input file.

OLDCASE This entry identifies a preexisting case upon which the new case
study is built. If it is not given, or if a nonexistent case is given, an
input error occurs. The ‘’caseid’’ supplied for this entry may
contain up to 12 characters (delimiters and embedded blanks are
not allowed).
For the first case study in an input file, the “caseid” of

OLDCASE must refer to the base case (because the base case is
the only existing case).
NEWCASE This entry assigns a unique identifier to the new case. An error
message results if the identifier already is used to identify a
previous case, or is the same as the OLDCASE identifier.
Modifying Initial Parameter Values (optional)

CHANGE statements allow the user to create a case study that has an initial state
different from the old case upon which it is based. CHANGE statements are the only case
study statements that modify parameter values in the base cycle. The single value that is
supplied operates as a one-time change that applies to all cycles in the case study, and
remains invariant in the base cycle as well as in all parametric cycles. If no CHANGE
statements are present, the state of the flowsheet in the base cycle of the case study is
identical to the state of the flowsheet in the old case.
There is no limit to the number of CHANGE statements allowed in each case study. Refer
to the Guidelines and the Examples sections later in this section.
On a stream:
CHANGE {ID= id*12}, STREAM=sid*12, <parameter>, VALUE=value,
{NAME=text*40}
CHANGE {ID= id*12}, <unit type>=uid*12, <parameter>, VALUE=value
{NAME=text*40}
CHANGE {ID= id*12}, THERM=setid*12, <parameter>, VALUE=value
{NAME=text*40}

ID This entry assigns a unique identifier to the CHANGE. The ID
entry may contain up to 12 alphanumeric characters, with no
delimiters or embedded blanks. If not supplied, PRO/II
generates a default identifier that is derived from the order in
which the CHANGE statement appears in the input. While
optional, it is strongly recommended that the ID entry be used
to specifically assign a unique meaningful identifier to each
CHANGE.
The identifier must be unique among all identifiers for

all CHANGE, PARAMETER and RESULT statements in all
case studies in the input file.
STREAM or The appropriate one of these entries is required to identify the
<unit type> or specific stream, unit operation, or thermodynamic method set
THERM containing the parameter to be manipulated. Supplying the ID
is required, and must be chosen from preexisting identifiers
already declared on the flowsheet.
<parameter> This entry identifies the specific parameter of a stream, unit
operation, or thermodynamic method set that is to be
manipulated. The syntax of this entry is discussed in Section
10.6, Vary and CHANGE Statements.
VALUE Supplies a single value that is assigned to the specified
parameter. The value should be entered using the same
dimensional units as used to define the parameter on the
original flowsheet. Once entered, this value remains invariant
and applies to all parametric cycles as well as to the base cycle
of the case study.
NAME The NAME entry allows the user to supply descriptive text that
describes the change. The name is reported in the Case Study
Summary report. The name may contain up to 40 characters of
text without delimiters or embedded blanks.
Case study CHANGE statements have access to the same flowsheet parameters as
VARY statements (used within unit operations). Both are discussed together in Chapter
10.6, VARY and CHANGE Statements. Refer to the tables noted below for information on
the types of CHANGEs available.
If You Want to Access ... See ...

Stream CHANGEs Chapter 10.3, Table 10.3-2 A-B.
Since they are modified during flowsheet

calculations; CASESTUDY CHANGE statements

cannot access reference streams.
Unit operation CHANGEs Chapter 10.3, Table 10.3-3 A-H
Thermodynamic CHANGEs Chapter 10.3, Table 10.3-3l
Performing Parametric Studies (optional)

Case study controls the values of flowsheet parameters using PARAMETER statements.
Each PARAMETER statement controls a single flowsheet parameter. Any number of
stream, unit operation, thermodynamic method, or reaction data parameters may be
modified within a case study.
If no flowsheet parameters are modified, a case study would simply repeat the
calculations of the base cycle. Therefore, at least one PARAMETER or CHANGE
statement must be supplied.
Each PARAMETER statement assigns one or more new values to a single flowsheet
parameter. Only invariant flowsheet parameters may be controlled by PARAMETER
statements. Usually this means that, if the user supplied an input value for a parameter in
the flowsheet base case, that parameter is available to be controlled by a PARAMETER
statement; otherwise it is not. If the value of a PARAMETER is changed during flowsheet
calculations, a diagnostic error message is issued, but execution is not interrupted.
On a stream:
PARAMETER {ID=id*12}, STREAM=sid*12, <parameter>,
U U

U U
RELATIVE)= value},
PARAMETER {ID=id*12}, <unit type>=uid*12, <parameter>,
U U

U U
RELATIVE)= value},
PARAMETER {ID=id*12}, THERM=setid*12, <parameter>,
U U

U U
RELATIVE)= value},
There is no limit to the number of PARAMETER statements allowed in each case study.
Refer to the Guidelines and the Examples sections later in this section.

ID This entry assigns a unique identifier to the PARAMETER. The
‘’id’’ entry may contain up to 12 alphanumeric characters,
excluding delimiters and embedded blanks. If not supplied,
PRO/II generates a default identifier that is derived from the
order in which the PARAMETER statement appears in the input.
While optional, it is strongly recommended that the ID entry be
used to specifically assign a unique identifier to each
PARAMETER.
The identifier must be unique among all identifiers for all

CHANGE, PARAMETER and RESULT statements in all case
studies in the input file.
STREAM or The appropriate one of these entries is required to identify the
<unit type> or specific stream, unit operation, or thermodynamic method set
THERM containing the parameter to be manipulated. Supplying the ID is
required, and must be chosen from preexisting identifiers already
declared on the flowsheet.
<parameter> This entry identifies the specific parameter of a stream, unit
operation, or thermodynamic that is to be manipulated. The
syntax of this entry is discussed in Section 10.6, Vary and
CHANGE Statements.
STARTVALUE This optional entry allows the user to supply a starting value
different from the parameter value found in the base cycle. This
value is applied in the starting cycle of the parameter. If the
STARTVALUE entry is omitted, the parameter value taken from
the base cycle is used without modification.
ACTUAL This is the default qualifier. In this mode, the
supplied STARTVALUE directly replaces the
parameter value taken from the base cycle. The
supplied starting value should be entered using
the input dimensional units of the parameter (if
any). Supplying a value of zero results in a
starting value of zero.
PERCENT The supplied starting value is a percentage
added to the parameter value taken from the
base cycle. A value greater than 100% is
allowed. A value of zero results in a starting
value that is identical to the parameter value
taken from the base cycle.
FRACTION The supplied step value is a fraction added to the
base cycle value. A value greater than 1.0 is
allowed. A value of zero results in a starting
value that is identical to the parameter value
taken from the base cycle.

RELATIVE The supplied value is added directly to the
parameter value taken from the base cycle to
compute the actual starting value. The supplied
value should be entered using the same input
dimensional units as the original parameter (if
any).
STEPVALUE This entry assigns an incremental value that is applied
successively to the value of the parameter in each cycle after the
starting cycle. Positive step values generate increasing
parameter values while negative step values generate
decreasing parameter values. This entry accepts one of three
qualifiers, as follows:
ACTUAL This is the default qualifier. In this mode, the

supplied STEPVALUE is the actual value to be
added directly to the starting value. The
supplied step value should be entered using the
input dimensional units of the parameter (if
any).
PERCENT The supplied step value is a percentage added
to the starting value. Values greater than 100%
are allowed. A value of zero is not allowed
because it results in no change from the starting
value.
FRACTION The supplied step value is a fraction added to
the starting value. Values greater than 1.0 are
allowed. A value of zero is not allowed because
it results in no change from the starting value.
CYCLES This optional entry allows the user to supply a starting cycle and
an ending cycle. If omitted, the parameter starting cycle defaults
to cycle 1, and the ending cycle defaults to cycle 1. If the starting
cycle is greater than 1, then the parameter value taken from the
base cycle is used for calculations in all cycles prior to the
starting cycle. The parameter starting value is applied in the
starting cycle. The parameter step value is applied in all cycles
after the starting cycle through the ending cycle. Often a case
study includes additional cycles after the ending cycle of a
specific parameter. In this latter situation, the parameter value
taken from the base cycle is used in all subsequent cycles.
NAME The NAME entry allows the user to supply descriptive text that
describes the parameter. The name is reported in the Case
Study Summary report. The name may contain up to 40
characters of text with no delimiters or embedded blanks.
Case study PARAMETER statements have access to the same flowsheet parameters as
VARY statements (used within unit operations). Both are discussed together in Chapter

10.6, VARY and PARAMETER Statements. Refer to the tables noted below for
information on the types of PARAMETERs available.

Stream PARAMETERs Chapter 10.3, Table 10.3-2 A-B.
Because they are modified

during flowsheet calculations,
CASESTUDY PARAMETER
statements cannot access reference
streams.
Unit operation PARAMETERs Chapter 10.3, Table 10.3-3 A-H
Thermodynamic PARAMETERs Chapter 10.3, Table 10.3-3l
Declaring Results to be Saved (optional)

Case studies typically are run to investigate cause and effect relationships among various
flowsheet items. While PARAMETER statements provide the means to manipulate and
control independent variables (the “causes”), the RESULT statements provide access to
calculated values (the “effects”) in addition to any independent parameters. Case study
does not require the presence of any RESULT statements.
On a stream:
RESULT {ID=id*12}, STREAM=sid*12, <parameter>, {operator,
RESULT {ID=id*12}, <unit type>=uid*12, <parameter>, {operator,
RESULT {ID=id*12}, THERM=setid*12, <parameter>, {operator,

ID This entry assigns a unique identifier to the RESULT. The
“id” entry may contain up to 12 alphanumeric characters,
with no delimiters or embedded blanks. If not supplied,
PRO/II generates a default identifier that is derived from the
order in which the RESULT statement appears in the input.
While optional, it is strongly recommended that the ID entry
be used to specifically assign a unique identifier to each
RESULT.
The identifier must be unique among all identifiers

for all CHANGE, PARAMETER and RESULT statements in
all case studies in the input file.
<parameter> These entries identify the stream, unit operation, or
<reference> thermodynamic parameter(s) to be modified. Their syntax is
discussed in Section 10.4, Specs, Constraints, and
Objectives.
<operator> An operator entry defines the mathematical operation used
to apply the <reference> to the <parameter>. It is required
when a <reference> is supplied; otherwise, it is not
allowed. Refer to Table 10.4-1 for a description of available
operators and their usage.
NAME The NAME entry allows the user to supply descriptive text
that describes the parameter. The name is reported in the
Case Study Summary report. The name may contain up to
40 characters of text excluding delimiters and embedded
blanks.
Case study RESULT statements have access to the same flowsheet parameters as
SPECIFICATION statements (used within unit operations). Refer to section 10.4, Specs,
Constraints, and Objectives, for information about composing RESULT statements. Refer
to the tables noted below for information on the types of RESULTs available.

Stream RESULTs Chapter 10.3, Table 10.3-2 A-B
Unit operation RESULTs Chapter 10.3, Table 10.3-3 A-H
Thermodynamic RESULTs Chapter 10.3, Table 10.3-3l

The optional COLUMN statement allows control of the number of iterations and
intermediate printout options of a distillation column in the run. One COLUMN statement is
allowed for each distillation column in the case. COLUMN parameters that effect the

actual converged solution (such as duties or specifications) can be manipulated using
CHANGE or PARAMETER statements.
COLUMNUID=uid*12, {ITER=max}, {COMPOSITION=M, WT},

INTERMEDIATE=PART or ESTIMATE or ALL or NONE,
U U
{MULTIPLE}, PROPTABLES= PART or BRIEF or ALL,

U U
{KVALUE}, {XYDATA}
UID The COLUMN unit operation identifier (assigned in the
base case).
ITERATION This entry changes the number of iterations allowed to
achieve convergence.
INTERMEDIATE Refer to Section 12.1, Column Input, for a description of
COMPOSITION these keywords. The INTERMEDIATE entry is the same as
MULTIPLE the PRINT ITER entry in the COLUMN input.
PROPTABLES
KVALUE
XYDATA
General Data Category Statements

TOLERANCE These statements override statements given in the
DESCRIPTION General Data Category and apply only to the case study
PRINT in which they appear. See Section 5, General Data, for a
DBASE description.
Guidelines
PRO/II supports case studies in both normal and restart runs. All Case Study categories
appear at the end of the PRO/II input file following all unit operations and recycle data.
Case Studies execute in the order of their appearance in the input file. Refer to Table 3.1
for information about properly ordering data in an input file.
A case in PRO/II is a data set that defines one state of a flowsheet for a fixed set of
operating conditions. All cases in the database share these attributes:
A fixed slate of components.
A fixed slate of thermodynamic methods.
A fixed slate of unit operations and associated streams
All cases reside in a single set of database files.
A case study in PRO/II operates on a single case by permutating flowsheet variables
according to the instructions supplied on PARAMETER statements. Typically, the case
study, ‘’cycles’’ to obtain a series of solutions to the flowsheet. The total number of cycles
in a case study is determined from the number of cycles supplied on the PARAMETER
statements. The overall sequence of events in a case study is:
Make a copy of the declared ‘’old case.’’ One complete copy of the flowsheet is created
within the database files for each case study. After the copy operation, any CHANGE

statements present are applied. This becomes the base cycle (cycle zero) of the case
study.
Cycle as many times as necessary to complete the case study. Cycles are performed ‘’in
place’’; that is, each subsequent cycle overwrites existing case data as necessary. This
greatly conserves storage requirements, but it also means complete flowsheet data is
available only for the base cycle (cycle zero). The only data saved from the parametric
cycles (if any) are the values of flowsheet parameters declared on CHANGE,
PARAMETER and RESULT statements.
Each cycle in a case study includes the following steps:
1. Apply current values to all flowsheet parameters according to the directions
embodied on all PARAMETER statements.
2. Execute and solve the entire flowsheet.
3. Selectively save calculated flowsheet data according to the instructions in the
RESULT statements.
Each case study begins with a CASESTUDY statement. The case study includes all
statements that follow until either (a) another CASESTUDY statement appears to begin a
new case study, or (b) end of file is reached.
Except for the OLDCASE entry on the CASESTUDY statement, each case study
constitutes a separate section of input independent of the other sections. Input in each
case study is local, and applies only to that case study. Case studies may all refer to one
common old case, or each may use a different old case. (Ultimately, however, all cases
trace back to the single base case.) In addition, each case study is capable of controlling
the options used to print results for that case.
Each CASESTUDY statement must have an OLDCASE entry to identify a preexisting
case on which to build new case studies. Each CASESTUDY statement also must have a
NEWCASE entry that uniquely identifies the case.
The TOLERANCE, DESCRIPTION, PRINT, and DBASE statements available in case
studies are taken from the General Data category. They provide global defaults for options
not specifically defined in each case study. For example, a case study that does not
include a PRINT statement uses the print options given in the old case, and if missing
from that case, from the General Data category of the original base case.
Creating a Case Study

In general, the procedure for creating a case study input file is as follows:
1. The original input file must begin with a TITLE statement that includes the
CASEID entry. The TITLE statement must be followed immediately by the
definition of a complete flowsheet, called the ‘’base case.’’ The base case is
defined in the normal manner. The CASEID entry identifies the base case so it
may be used as the ‘’old case’’ of subsequent case studies.
2. If case studies are to be executed in subsequent ‘’restart’’ runs, it is necessary to
include a NEWFILE entry on the TITLE statement. See section 18.1, Restart, for
a complete description.

3. Any number of case studies may be appended to the end of the base case file.
Each case study must begin with a CASESTUDY statement that includes an
OLDCASE and a NEWCASE entry. The ‘’OLDCASE=caseid’’ entry identifies the
case that will be copied to create the new case. The ‘’NEWCASE=caseid’’ entry
identifies the newly created case that will store the flowsheet after any CHANGE
statements are applied (thus creating the base cycle (cycle zero)). Upon
completion of execution, it will store and report complete results for the base
cycle. Additionally, it will store and report the results of all parametric cycles.
The first case study must refer to the base case on its OLDCASE entry, since
the base case is the only preexisting case. A second subsequent case study then
could refer to either the base case or the first case study in its OLDCASE entry.
4. Any number of case studies may appear in an input file, even in ‘’restart’’ runs.
When case studies appear in a restart file, the TITLE statement must include an
OLDFILE entry as described in section 18.1, Restart.
5. Within each case study, use CHANGE statements to make one-time
modifications that are applied in the base cycle. These values remain invariant
through all subsequent parametric cycles of the case study.
6. Use PARAMETER statements to perform parametric studies. Each
PARAMETER statement permutates a single flowsheet parameter.
7. Retrieve and report any desired flowsheet data by using RESULT statements.
Using the PARAMETER Statement

Understanding the operation of the PARAMETER statement is the key to successfully
creating effective parametric case studies. The CYCLES, STARTVALUE, and
STEPVALUE entries are the keys that unlock the power of the PARAMETER statement.
The CYCLES entry tells PRO/II when to begin and when to stop permutating a flowsheet
parameter. It specifies the range of cycles in which the PARAMETER statement
manipulates the flowsheet parameter. While a case study always begins calculations at
the base cycle, the earliest available starting cycle on a PARAMETER statement is cycle
1. This means the PARAMETER statement cannot affect the flowsheet in the base cycle
(use CHANGE statements to control values in the base cycle).
Users may delay the start of permutations by specifying a starting cycle greater than 1. In
all cycles prior to the specified starting cycle, the parameter value remains constant at its
base cycle value. Similarly, specifying an ending cycle tells PRO/II when to stop
permutating the parameter. This allows the user to stop permutating the parameter before
the last cycle in the case study. For cycles after the specified ending cycle, the flowsheet
parameter reverts to its base cycle value.
The STARTVALUE entry is extremely flexible, allowing the user to replace, modify, or
directly use the parameter value retrieved from the base cycle. Use the STARTVALUE
entry to specify the value of the parameter in its starting cycle. If this entry is omitted, the
parameter value from the base cycle is used in the starting cycle. (Use the CYCLES entry
to declare the starting and ending cycles.)

The (default) ACTUAL qualifier indicates the supplied starting value directly replaces the
parameter value retrieved from the base cycle. The PERCENT, FRACTION, and
RELATIVE qualifiers all use the value retrieved from the base cycle, but modify it
according to the formulae in Table 18.2-1:
Table 18.2-1:
Examples of Using STARTVALUE
Base Supplied Actual Starting Value (Pstart) B B
Qualifier Cycle STARTVALUE Used in Starting Cycle

Value (Pn*)
B B
(Pn,0)
B B
ACTUAL Pn,sv = Pn*

B B B B
(default) 27 not supplied 27(defaulted to Pn,0) B B
27 30 30
27 -3 -3
27 25 25
PERCENT Pn,sv = Pn,0 + (Pn,0 * Pn*/ 100.0)
B B B B B B B B
27 not supplied 27 = 27 + ( 27 * 0.0 / 100.0)

27 30 35.10 = 27 + ( 27 * 30 / 100.0)
27 -3 26.19 = 27 + ( 27 * -3 / 100.0 )
27 25 33.75 = 27 + ( 27 * 25 / 100.0 )
FRACTION Pn,sv = Pn,0 + (Pn,0 * Pn*)
B B B B B B B B
27 not supplied 27.00 = 27 + ( 27 * 0.00 )

27 0.30 35.10 = 27 + ( 27 * 0.30 )
27 -0.03 26.19 = 27 + ( 27 * -0.03 )
27 2.5 94.50 = 27 + ( 27 * 2.5 )
RELATIVE Pn,sv = Pn,0 + Pn*
B B B B B B
27 not supplied 27.00 = 27 + 0

27 30 57.00 = 27 + 30
27 -3 24.00 = 27 + ( -3 )
27 2.5 29.50 = 27 + 25
Negative values supplied for STARTVALUE are permitted.

Supplying a STEPVALUE enables users to perform parametric studies within a single
case study. The STEPVALUE entry controls the manner in which the parameter is
perturbated after the starting cycle. Qualifiers provide flexibility in defining the
STEPVALUE by modifying the significance of the supplied value. These qualifiers and
their effects are illustrated in Table 18.1-2.

Table 18.2-2
Examples of Supplying STEPVALUE
Actual Supplied Actual StepValue
Qualifier Starting STEPVALU Used in Each Cycle
Value E (Vvstep)
B B
(Pn,sv)
B B (Vns)
B B
ACTUAL 10 5 Vnstep = Vns

B B B B
(default) -5 5
15 -5
15
PERCENT 10 5 Vnstep = Pn,sv * Vns / 100.0)
B B B B B B
-5 0.5 = 10 * 5 / 100.0
150 -0.5 = 10 * -5 / 100.0
15.0 = 10 * 150 / 100.0
FRACTION 10 0.5 Vnstep = Pn,sv * Vns
B B B B B B
-0.5 5.0 = 10 * 0.5

1.5 -5.0 = 10 * -0.5
15.0 = 10 * 1.5
Negative values supplied for STEPVALUE are permitted. A STEPVALUE of zero

causes the parameter to remain invariant at its starting value in all cycles within the
declared range of cycles.
Step values may be positive (resulting in increasing values of the parameter) or negative
(resulting in decreasing values of the parameter). Enter a STEPVALUE to change the
parameter value in each cycle after its starting cycle. If no STEPVALUE is specified, the
parameter remains at its starting value. This may be desirable in some instances, since it
allows the STARTVALUE to remain in effect as a constant over the specified range of
cycles.
The STEPVALUE has no effect when the parameter has only a single cycle (i.e., when the
start and ending cycles are the same). The final application of the step value occurs in the
declared ending cycle. When the case study includes cycles after the declared ending
cycle of the parameter, the parameter reverts to the value it had in the base cycle and
remains constant at that value in all subsequent cycles.
The step value is applied to the actual starting value (see above) incrementally in each
cycle (after the starting cycle until the ending cycle) according to the following formula:
Pn ,i =Pn ,sv + Vnstep (i − incs)

where:
Pn,i is the value of parameter ‘’n’’ in cycle ‘’i’’
B B
Pn,sv is the starting value of parameter ‘’n’’ ( in the starting cycle)

B B
Vnstep is the step value entered for the parameter ‘’n’’

B B

i is the current cycle number
incs is the starting cycle of parameter ‘’n’’
Several typical situations using various starting values, step values, and cycle
declarations are illustrated in Table 18.2-3.
Table 18.2-3
Examples of Using Cycles
Cycle Supplied Actual Step Start End Cycle Parameter Actual
Zero START Starting Value Cycle Cycle (Ci)
B B Value in
Value VALUE Value (Vs)
B B (Cs)
B B (CE)
B B i= each cycle i
(P0) (Pstart)
B B (Pi ) B B
10 missing 10 5 0 10 = P0B B
1 1 1 10 = P1 = Pstart
B B B B
2 10 = P2 = P0
B B
10 15 15 5 0 10 = P0B B
1 1 1 15 = P1 = Pstart
B B B B
2 10 = P2 = P0
B B B B
10 missing 10 5 0 10 = P0B B
1 1 10 = P1 = Pstart = P0
B B B B B B
2 15 = P2 = Pstart + Vs
B B B B B B
3 3 20 = P3 = P2 + Vs
B B B B B B
4 10 = P4 = P0
B B B B
10 15 15 5 0 10 = P0B B
1 1 15 = P1 = Pstart
B B B B
2 20 = P2 = Pstart + Vs
B B B B B B
3 3 25 = P3 = P2 + Vs
B B B B B B
4 10 = P4 = P0
B B B B
10 15 15 5 0 10 = P0B B
1 10 = P1 = P0
B B B B
2 2 15 = P2 = Pstart
B B B B
3 20 = P3 = Pstart + Vs
B B B B B B
4 4 25 = P4 = P3 + Vs
B B B B B B
5 10 = P5 = P0
B B B B
15 20 20 -10 0 15 = P0B B
1 1 20 = P1 = Pstart
B B B B
2 2 10 = P2 = Pstart + Vs
B B B B B B
3 15 = P3 = P0
B B B B
Using the RESULT Statement

The purpose of RESULT statements is selectively access, store, and report values of
interest an extremely wide variety of flowsheet data. This data frequently is calculated (or
dependent) data that is selected to reflect the effects of the case study PARAMETER and
CHANGE statements. Complete data is retained for the base cycle of each case study.

However, only data specified on CHANGE, PARAMETER, or RESULT statements is
retained from each parametric cycle; all other flowsheet data is permanently discarded.
RESULT statements in no way affect the values of flowsheet parameters. They do not
affect execution, convergence, or solution of the flowsheet in any manner. A wide variety
of flowsheet data, including invariant (constant) data, is accessible. Because the RESULT
statement supports both a primary and a reference parameter, a RESULT may define a
function that returns a computed result that is not actually stored in the flowsheet data
base. A comprehensive discussion of the syntax used to construct RESULT statements is
presented in Section 10.4, Specs, Constraints, and Objectives.
Example
1: Flash Case Study Example
This problem illustrates the flexibility of the PARAMETER and RESULT statements. It
consists of a base case and one case study. The base case has two unit operations, both
flash units. Because no CASEID entry appears on the TITLE statement, the case ID
defaults to ‘’BASECASE.’
TITLE PROBLEM=CASE, PROJECT=CSFLSH, USER=SIMSCI,
DIME LIQV=GAL, PRESSURE=PSIG
PRINT INPUT=ALL, STREAMS=PART
COMPONENT DATA
LIBID 1, WATER / 2, ETOH / 3, METHANE / 4, ETHANE / &
5, PROPANE / 6, IBUTANE / 7, BUTANE / 8, IPENTANE / &
9, PENTANE / 10, HEXANE / 11, HEPTANE
THERMO DATA
METH SYSTEM=PR, DENS(L)=LK, TRANS=LIBR
STREAM DATA
PROP STRM=3, TEMP=20.0000, PRES= 600.0000, &
COMP= 1, 2000.0000 / 2, 211.9103 / 3, 1957.0222 / &
4, 205.7485 / 5, 152.43610 / 6, 26.5223 / &
7, 65.3680 / 8, 18.4852 / 9, 21.9679 / &
10, 11.2519 / 11, 8.3050
FLASH UID=F1
FEED 3
PROD V=V1, L=L1
ADIA TEMP=20
FLASH UID=F2
FEED 3
PROD V=V2, L=L2
ADIA PRES=600
CASESTUDY OLDCASE=BASECASE, NEWCASE=NC1
PARAM ID=F1Temp, FLASH=F1, TEMP, STARTVAL(RELATIVE)=-3, &
STEP=1.0, CYCLES=1,6 &
NAME= Temperature-of-Flash-Drum-F1
PARAM ID=F2PRES, FLASH=F2, PRES, STARTVAL=610, STEP=-5, &

CYCLES=2,6, NAME=Pressure-of-Flash-Drum-F2
RESULT FLASH=F1, PRES, ID=F1Pres, &
NAME=Pressure-of-Flash-Drum-F2
RESULT FLASH=F2, TEMP, ID=F2temp, &
NAME=Temperature-of-Flash-Drum-F2
RESULT FLASH=F2, PRES, MINUS, FLASH=F1, PRES, &
NAME=Pressure-Diff-Between-F2-and-F1, ID=F2F1Pres
RESULT FLASH=F2, TEMP, MINUS, FLASH=F1, TEMP, &
NAME=Temperature-Diff-Between-F2-and-F1, ID=F2F1Temp
Output Results
Results of this case study appear in a Case Study summary, as shown below:
VALUES OF MANIPULATED PARAMETERS

F1TEMP F2PRES
CYCLE F PSIG
Base 20.0000 600.0000
1 17.0000 600.0000
2 18.0000 610.0000
3 19.0000 605.0000
4 20.0000 600.0000
5 210000 595.0000
6 22.0000 590.0000
VALUES OF DECLARED RESULTS

F1PRES F2TEMP F2F1PRES F2F1TEMP
CYCLE PSIG F PSIG F
Base 600.0000 20.0000 .0000 .0000
1 513.0203 20.0000 86.9797 3.0001
2 541.1418 20.3287 68.8582 2.3287
3 570.1367 20.1649 34.8633 1.1649
4 599.9925 20.0002 7.51004E-03 2.32064E-04
5 630.7104 19.8347 -35.7104 -1.1653
6 662.2852 19.6684 -72.2852 -2.3316

18.3 – INTERACTIVE
U
EXECUTION
Interactive execution enables the user to actively control the calculation of a flowsheet
even while executing from keywords as opposed to the Provision GUI. The user can view
results, change key process variables, recalculate selected units or redirect the calculation
flow interactively.
Once an input is created, two modes of execution are available: batch (default) or
interactive. Under batch execution, calculations proceed uninterrupted to the completion of
the defined flowsheet or until a unit or recycle loop fails to converge. At this time
calculations are terminated and the program is exited. Under this mode, the user has no
control over calculations during program execution.
The interactive execution mode is menu driven, and operates similarly on mainframe
computers, workstations and microcomputers.
The menu system is entirely self-explanatory. Once interactive execution has been
activated and the menu system turned on, this documentation should only be required for
occasional reference.
Interactive execution may be requested by including an INTERACTIVE statement in the
General Data Section (Section 5), or activated during a run initiated under batch execution
by pressing the interrupt key after the calculation phase of the program execution has
been entered. The interrupt key is ignored if pressed during input processing or output
generation.
The interrupt key is different for different computer versions of PRO/II. Table 18.3-1
tabulates the interrupt key for some computer installations. If your computer is not listed
here, call your SimSci representative for more information.
Table 18.3-1
Interrupt Key for Different Computers
Intel (MS-DOS) <Esc>
VAX (VMS) ^C
Most workstations (UNIX‰) <Esc>
Note that, as of this writing, the interactive feature is not accessible through interrupt keys
on IBM mainframe installations. Instead, invoke the interactive feature through the
command file.
Interactive execution does not begin until input checking is complete. If input errors are detected,
the interactive mode will not be entered and PRO/II will be exited. If no input errors are found,
program execution will pause and the program will prompt the user for an interactive command.
At this point the user may issue any command from Table 18.3-2.
PRIME and PRIMOS are registered trademarks of Prime Computers. IBM is a registered trademark
of international Business Machines. VAX and VMS are trademarks of Digital Equipment
Corporation UNIX is a registered trademark

For example:
ENTER COMMAND
} SET MENU (User response in bold)
ENTER...
SEt - SET GLOBAL OPTIONS/DEFAULTS
CLear - CLEAR GLOBAL OPTIONS/DEFAULTS (CAncel)
SHo - SHOW GLOBAL OPTION/DEFAULT SETTINGS
LIst - LIST FLOWSHEET INFORMATION
VIew - VIEW DATA (DIsplay)
CHange - CHANGE DATA
WHere - DISPLAY CURRENT LOCATION
GOto - BRANCH TO SPECIFIC UNIT (NExt)
RUn - CONTINUE EXECUTION (COntinue)
STep - EXECUTE NEXT OPERATION ONLY
QUit - TERMINATE EXECUTION (EXit)
ENTER COMMAND
} SET
ENTER...
MEnu - SET MENU DISPLAY OPTION
LOg - SET LOG FILE OPTION
BEll - SET BELL OPTION
DEfault - SET DEFAULT STREAM OR UNIT
BReak - SET BREAKPOINTS
ENTER ITEM TO SET (Q TO ABORT COMMAND)
SET} LOG
In this example, the command SET MENU is entered; this results in a menu of the
interactive commands followed by a prompt for the next command. With the menu on, the
command SET is entered alone. Since SET requires an additional option, a menu of the
available options is printed. The option LOG is entered which causes the interactive
dialogue to be recorded to a file for later review.
The LOG option is recommended whenever interactive is used.

HELP may be entered at any time to get the menu associated with the current position in
the command. For example:
ENTER COMMAND
} HELP (lists the main menu shown above)
ENTER COMMAND
} SET
ENTER ITEM TO SET (Q TO ABORT)
} HELP (lists the available SET items: MENU, LOG, BELL,
BREAK ...)
Commands and command options may be abbreviated to the first two characters shown in
capitals in the above menu and in Table 18.3-2.
Chapter 18.3 INTERACTIVE EXECUTION 809

For example, the following are equivalent:
ENTER COMMAND ENTER COMMAND ENTER COMMAND
} LIST UNIT } LI UN } LIST UN
CHANGE and VIEW ‘items’ may be abbreviated to the beginning characters which
uniquely define the item in the list. However, using the first four characters is always
sufficient to uniquely define an item. Unit and stream ‘ids’ may not be abbreviated.
Commands may be issued on a single command line, or each option may be input
individually on separate lines, or a combination of both may be used. When the
commands are entered on separate lines, the prompt echoes the command options
entered thus far. For example:
} SET BREAK UNIT F1 } SET } SE BR UN
ENTER ITEM TO SET ENTER UNIT ID
SET } BREAK SE BR UN } F1
ENTER BREAKPOINT LOCATION
SET BREAK } UNIT
ENTER UNIT ID
SET BREAK UNIT } F1
If the menu is turned on (via SET MENU), a list of the available options is displayed prior
to each prompt, for example:
ENTER COMMAND
} SET BREAK
ENTER...
FAilure - SET BREAK ON UNIT OR LOOP FAILURE
AT - SET BREAK AT (BEfore) UNIT OR LOOP
AFter - SET BREAK AFTER UNIT OR LOOP
ENTER BREAKPOINT LOCATION (Q TO ABORT COMMAND)
SET BREAK} AFTER
ENTER ...
UNit - SET BREAK AT UNIT
LOop - SET BREAK AT LOOP
UNIT OR LOOP (Q TO ABORT COMMAND)
SET BREAK AFTER } UNIT
ENTER UNIT ID, OR # FOLLOWED BY UNIT NUMBER (Q TO ABORT COMMAND)
SET BREAK UNIT } #3
In the above example, the ‘AT’ entry is assumed if bypassed with a UNIT or LOOP entry.
When entering a UNIT, STREAM or LOOP ID, the alphanumeric ID assigned during input
may be used or the internal sequence number associated with the unit, stream, or loop
may be input by preceding the number with a ‘#’ sign. In the example above, a breakpoint
is set at the third unit in the flowsheet. Note that the relationship between the ID’s and the
internal numbers may be obtained by using the LIST command.
A ‘Q’ may be entered to abort a command. For example:

ENTER COMMAND ENTER COMMAND
} SET } SET BREAK Q
ENTER ITEM TO SET (Q TO ABORT) ENTER COMMAND
SET } Q }
ENTER COMMAND
}
When prompted for a YES/NO response, the default will appear in parentheses. Pressing
<RETURN> without an entry uses the default.
ENTER COMMAND
} QUIT
DO YOU WISH TO TERMINATE THE RUN (NO)
} <RETURN> (interpreted as NO)
The SET DEFAULT command may be used to define a default stream or unit. For
commands which require a stream ‘id’ or unit ‘uid’, the default ‘id’ or ‘uid’ will be used if
omitted. For example:
ENTER COMMAND ENTER COMMAND
} SET DEFAULT UNIT F1 } SET DEFAULT STREAM 1
ENTER COMMAND ENTER COMMAND (change stream 1
} VIEW (displays unit F1) } CHANGE TEMP 100 temperature)
VIEW AND CHANGE FLOWSHEET DATA

Certain unit and stream data may be displayed or modified using the interactive VIEW (or
DISPLAY) and CHANGE commands.
VIEW displays information available for the default stream or unit or a defined stream or
unit. In general, all flowsheet parameters available as <references> for SPECIFICATION
and DEFINE statements are also available to the VIEW command. These parameters may
be listed on-line via the following commands:
ENTER COMMAND
}VI UNIT U1 HELP (Writes to screen all parameters in unit
‘U1’ that are available for VIEWing.)
ENTER COMMAND
}VI STREAM S1 HELP (Writes to screen all parameters in STREAM S1
that are available for VIEWing.)
Refer to Table 10.3-2 A-B for all available stream property <references> available to the
VIEW command. Refer to Table 10.3-3 A-H for all available unit operation <references>
available to the VIEW command.
The following are some examples of VIEW command usage:
ENTER COMMAND (display default properties for the default
} VIEW stream or unit defined with the SET DEFAULT
command)
ENTER COMMAND
} VI ST 1 (display properties for stream 1)

ENTER COMMAND (display default properties for internal
} VI UNIT #1 unit number 1)
ENTER COMMAND (display only temperature and pressure
} VI UN F100 TEMP PRES for unit F100)
ENTER COMMAND (display column summary for internal
} VI UN #10 SUMMARY unit number 10)
In addition to the type of unit, the items that may be viewed for a particular unit depend on
the options used when defining the unit input. For example, aftercooler items (ACDP,
ACTEMP and ACQ) may only be viewed if an aftercooler is defined in the compressor
input. A list of the items available for a particular unit may be obtained using the HELP
command option:
In general, all flowsheet parameters accessible to controller VARY statements may be
modified using the CHANGE command. Note, however, that units that are actually varied
by a controller would conflict with the CHANGE statement and are not accessible.
Parameters to be CHANGEd must be entries defined during input. For example, the work
for a compressor may only be changed if defined in the original input. The list of the items
available for a particular unit may be obtained using the HELP option or by activating the
command menu:
ENTER COMMAND
}CH UNIT U1 HELP (Writes to screen all parameters in
unit ‘U1’ that are available to CHANGE.)
ENTER COMMAND
}CH STREAM S1 HELP (Writes to screen all parameters in
STREAM S1 that are available to CHANGE.)
ENTER COMMAND
} VI UN #1 (View current parameter values for flash #1.)
UNIT 1, ‘1KD’
TYPE FLASH DRUM
FEEDS 1
PRODUCTS 1KDL 1KDV 1KDW
TEMPERATURE, F (TEMP) 100.00
PRESSURE, PSIA (PRES) 10.00
PRESSURE DROP, PSI 90.00
DUTY, MM BTU/HR 5.78
ENTER COMMAND
}
Property names given in parentheses may be changed. In this example, the temperature
(TEMP) and pressure (PRES) of the unit may be changed.
Refer to Table 10.3-2 A-B for all stream property parameters available to the CHANGE
command. Refer to Table 10.3-3 A-H for all available unit operation parameters available
to the CHANGE command.
Changes made to stream conditions (TEMP, PRES, LFRAC/VFRAC or COMP) cause the
stream to be automatically flashed at the new set of conditions and displayed. However,

units affected by a stream change or changes made to unit items will not cause the
affected units to be recalculated automatically. If a change is made in a stream or unit
upstream from the current flowsheet position, it is left up to the user to redirect the
calculation to the unit using the ‘GOTO’ command. Neglecting to do this or improper
use of the 'GOTO' command can result in a solution with heat and material
imbalances around one or more units.
The CHANGE command is very similar in format to the VIEW command except that both a
change item and value must be supplied:
ENTER COMMAND (change the work to 10 for the default unit.
} CHANGE WORK 10 Note that the unit must be a compressor or
expander)
ENTER COMMAND (change temperature of stream 1 to 100. The
} CH ST 1 stream will be flashed at this temperature
ENTER ITEM TO CHANGE... and the existing pressure automatically)
} TEMP
ENTER VALUE (Q TO ABORT)
} 100
ENTER COMMAND (change the temperature and
} CH UN #1 TEMP -10 PRES 14.7 pressure of internal unit 1 to -10
and 14.7)
When changing values, input dimensional units must be used. These may be displayed
using VIEW (as shown above) or omitting the value:
ENTER COMMAND
} CHANGE UNIT C100 TEMP
ENTER TEMPERATURE IN F (Q TO ABORT)
} 100
To run, GOTO the unit or loop (if necessary) from which execution should begin. Then
simply enter RUN. In the following example, execution is to begin at unit #1, which is the
only unit in the flowsheet.
ENTER COMMAND
} GOTO UNIT #1
ENTER COMMAND
}RUN
UNIT 1 BEGINS - ‘1KD’
UNIT 1 SOLVED
*** PROBLEM SOLUTION REACHED
*** RUN COMPLETED - CASE SOLVED

ENTER COMMAND
}
Once the flow sheet is solved, an appropriate GOTO command must be issued before
another RUN command will be accepted.

Table 18.3-2
INTERACTIVE COMMANDS
Special Functions
The interrupt key. (see Pressing the interrupt key causes PRO/II to enter
Table 18.3-1) the interactive mode after completion of the
current unit or column iteration. This function is
active only during the calculation phase of the
program (i.e., it is ignored during the input and
output phase).
SEt, CLear, SHow
SEt MEnu Displays a menu of options.

CLear MEnu
Set Log FUlI PART logs interactive dialogue to a file. FULL

Set Log PArt requests that the unit execution also appear in
CLear Log the log.
SEt BEll Sounds a bell each time the interactive mode is

CLear Bell entered.
SEt BReak FAilure Sets and clears breakpoints. Break- points are
SEt BReak UNit uid the points in the flowsheet where the interactive
SEt BReak LOop id mode is entered. UNIT and LOOP breakpoints
SEt BReak AFter UNit uid are taken as before the defined unit or loop
SEt BReak AFter LOop id executes, unless AFTER is specified. FAILURE
CLear BReak FAilure CLear defines the breakpoint at a unit or loop which
BReak UNit uid CLear fails to converge.
BReak LOop id
CLear BReak AFter UNit uid
CLear BReak AFter LOop id
CLear BReak All
SEt DEfault STream id Defines the stream or unit used in the VIEW and
SEt DEfault UNit uid CHANGE commands when a stream id or unit
CLear Default uid is not explicitly defined on the command line.
SHow Displays the status of all SET parameters.
SHow BReak Displays all break points.

Table 18.3-2
LIst
LIst STream As requested, list all streams, units, or the
LIst UNit calculation sequence with recycle loops. Streams
LIst SEquence and units are listed with their internal numbers,
ids, and names. SEQUENCE shows all units and
loops in the order calculated as well as the
current position in the unit calculation sequence.
View
All stream parameters that may be viewed are given as <references> in Table
10.3-2 A-B. All unit operation parameters that may be viewed are given as
<references> in Table 10.3-3 A-H.
VIew UNit uid HElp List the items that may be viewed for defined unit
uid.
VIew View the default stream or unit defined with the

VIew STream id SET DEFAULT command, or for the defined unit
VIew UNit uid uid or stream id.
VIew item View specific items for the default unit or the
VIew UNit uid item defined unit uid.
CHange
All stream parameters that may be changed are listed in Table 10.3-2 A-B. All
unit operation parameters that may be changed are listed in Table 10.3-3 A-H.
CHange STream id HElp List the items that may be changed for the
CHange UNit uid HElp defined unit uid or stream id.
CHange item value Change the value of one or more items for the
CHange STream id item value default unit or stream, or for the defined unit uid
CHange UNit uiditem value or stream id.
GOto
GOto UNit uid Sets execution pointer at this unit or loop. When
GOto LOop id the next RUN or STEP command is issued,
execution will begin at the unit uid or at the
beginning of the defined loop id.

Table 18.3-2
Execution Commands
WHere Displays the current location in the execution
sequence.
RUn Continue execution until the next breakpoint, or
until the interrupt key is pressed.
STep Execute next unit, loop begin or loop end.
STep n Execute next ‘n’ units. A loop begin or loop end
counts as one unit.
CHANGE Stream Considerations

When a stream at pressure P1 and temperature T1 is changed to temperature T2, The
B B B B B B
stream will be flashed at P1, T2 and the results displayed automatically. If, instead of
B B B B
temperature, the pressure is changed to P2, the stream will be flashed at P2, T1 and the
B B B B B B
results displayed automatically.

When the liquid or vapor fraction of a stream is changed, it is possible to give a new
pressure or temperature (but not both) on the same command line. For example:
ENTER COMMAND
} CH STREAM S1 VFRAC 0.7 PRES 100
If neither are given, PRO/II prompts the user to fix either the existing pressure or
temperature to establish the second degree of freedom in the thermodynamic state.
When component flows are changed, the resulting molar flows will change by that amount.
The new composition is flashed at the existing pressure and temperature. For example:
ENTER COMMAND
} CHANGE STREAM COMP 1 30 3 40 Q
changes the flow rate of component 1 to 30 moles, component 3 to 40 moles, and
reflashes the stream at the new composition and existing pressure and temperature. All
other component flows remain the same. To normalize new composition to a fixed rate
(say to 2100 moles), simply change the rate:
ENTER COMMAND
} CHANGE STREAM RATE 2100

CHANGE Column Considerations
Merged Columns
For the IO algorithm, PRO/II merges sidestrippers and siderectifiers to the end of the main
column. When accessing the merged column data, either the column uid, side column
uids, or the internal unit number for the merged unit may be used. When it is necessary to
change a side column tray pressure or estimate, specification, or heater-cooler duty, the
tray number or ‘idno’ used to identify the particular item to change is determined by adding
the side column trays or ‘idnos’ sequentially to the column.
For example, to change the pressure on tray 1 of the second sidestripper, add 1 + the
number of trays in the first sidestripper + the number of trays in the column. Therefore, if
the column has 21 trays and the first sidestripper has 2 trays, tray 1 of the second
sidestripper will be identified as tray 24 (1 + 2 + 21).
If the column has 4 specifications, the first sidestripper specification will have an ‘id’ of 5.
Change Specifications
Column specifications may be supplied in the keyword file as active (on a SPEC
statement) or inactive (on a SPEC(CHANGE) statement). To interactively view the current
list of active and inactive specifications on column T101 enter:
ENTER COMMAND
} VIEW UNIT T101 SPECS
To change a value on third specification listed, enter:
ENTER COMMAND
} CHANGE UNIT T101 SPEC 3 VALUE 105
or
} CHANGE UNIT T101 SPEC 3 105 (VALUE is default)
To swap an active specification with an inactive one, use the ‘TO’ entry. For example, to
make specification 3 inactive and specification 1 active:
ENTER COMMAND
} CHANGE UNIT T101 SPEC 3 TO 1
To change a duty, it is necessary to include the duty ‘idno’ before the actual value. For
example:
ENTER COMMAND
} CHANGE UNIT T101 DUTY 1 -5.3
To adjust the current column pressure profile, or temperature, vapor or liquid profile
estimates, the tray number must be given with each data point. Trays not given will be
determined through linear interpolation. In the following example, the pressure profile is
changed, and the temperature and vapor profile estimates are changed.

ENTER COMMAND
} CHANGE UNIT T101 PRES 1 200 2 205 10 215 Q
ENTER COMMAND
} CHANGE UNIT T101 TEMP 1 100 3 120 10 200 Q
ENTER COMMAND
} CHANGE UNIT T101 VAPOR 2 4220 6 4440 7 3900 10 3700 Q9M
Changes are applied to the current profile as opposed to the original values or estimates.
A ‘Q’ must be used to indicate that no more entries are to be supplied. If omitted, a prompt
will be presented requesting additional values.
Note that when temperature or pressure points are supplied one point at a time, no
interpolation takes place. In the following example, tray 2 pressure remains unchanged.
ENTER COMMAND
} CHANGE UNIT T101 PRES 1 200 Q
ENTER COMMAND
} CHANGE UNIT T101 PRES 3 210 Q


19.1 –
U
DEPRESSURING UNIT
Keyword Summary
DEPRESSURE UID=uid, {NAME=text}
Feeds (required)
MAKEUP sid
Products (optional)
PRODUCT sid, {sid, . . .}
Configuration (required)
Choose one of the following forms:
Vessel volume specified, initial holdup computed by default.
VESSEL VOLUME(unit)=value,
{WEIGHT(unit)=value and CP(unit)=value}
Vessel volume and initial liquid holdup specified.
VESSEL VOLUME(unit)=value, {HOLDUP}(basis,unit)=value,
Spherical vessel specified.
VESSEL SPHERICAL, DIAMETER(unit)=value,
{VOLFACTOR= 1.0},
{LIQHEIGHT(unit)=value},
{WEIGHT (unit)=value and CP(unit)=value}
Horizontal vessel specified.
VESSEL HORIZONTAL(unit)=value,
DIAMETER(unit)=value, {VOLFACTOR=1.0},

Chapter 19.1 DEPRESSURING UNIT 821

Vertical vessel specified.
VESSEL VERTICAL(unit)=value,
DIAMETER(unit)=value, {VOLFACTOR=1. 0},

The OPERATION statement is required. The RELIEFVALVE, HEAT, and PRINT
statements are optional.
OPERATION PFINAL(unit)=value,
FINALTIME(unit )=value or DTIME(unit)=value,
{STEPTIME(unit )=value, ISENTROPIC(basis)=value},
{RELIEFTIME (unit)=0.0 or PRELIEF(unit)=value},
{VTOL=0.0001, XOPTION=STOP, MAXSTEPS=100}
{POPT=SEMI or RIGOROUS, CSTEP= TOTAL or
U U U U
VAPOR or CHOOSE,
CSIZE=0.04}
RELIEFVALVE MODEL=SUPERSONIC, CONSTANT=value,
or
MODEL=SUBSONIC, PBACK(unit)=value,
CONSTANT=value,
or
MODEL=CONSTANT, CONC=value,
or
MODEL=USER, PBACK(unit)=value,
CV =value, CF=1.0,
HEAT MODEL=USER, DATA=C1 , C2 , C3 , C4 , C5 , B B B B B B B B B B
{QFAC=1.0},
or
MODEL=API2000 or APISCALE or RP520 or
RPSCALE,
{QFAC=1.0}, IWAREA(unit)=value, {AFAC=1.0}
or
MODEL=ISOTHERMAL,
or
MODEL=BLOWDOWN, HTAREA(unit)=value,
{HTCFAC=1.0, DATA= C1 , C2 , C3 , C4 , C5 ,
B B B B B B B B B B
or
MODEL=BLOWDOWN, HTC(unit)=value,
HTAREA(unit)=value,
{DATA= C1 , C2 , C3 , C4 , C5 , },
B B B B B B B B B B
or
MODEL=BLOWDOWN, HTCVAP(unit)=value,
HTCLIQ(unit)=value, HTAREA(unit)=value,
{DATA= C1 , C2 , C3 , C4 , C5 ,, }
B B B B B B B B B B
or
MODEL=FIRERELIEF, DATA= C1 , C2 , C3 , B B B B B B
IWAREA(unit)=value, {QFAC=1.0, AFAC=1.0},

PRINT COMPOSITION=ALL, {WTOPT},
U U
{RELIEF or DELPRES(unit)=value or
DELTIME(unit)=value}
PLOT {TEMP, PRES, COMB}

or

METHOD SET=setid
General Information
The DEPRESSURING unit determines the time-pressure-temperature relationships when
depressuring a vessel through a relief or control valve. The phase of the contents may be
vapor or a liquid-vapor mixture.
Calculation options include procedures from API standard 2000, API recommended
practice 520, and others. Refer to the PRO/II Reference Manual for a detailed description
of these methods. The model employs an incremental approach using discrete time steps.
Calculations occur during normal flowsheet convergence. The user can specify product
streams from the unit. These product streams correspond to the vent gas stream at the
specified output steps. The first product is already the initial vent gas; the second product
is the relief condition vent gas if a relief condition is specified or the first output time step.
The output time steps are determined by the PRINT DELPRES or PRINT DELTIME
entries or default to each time step if no print option is entered.
The user may furnish valve flow characteristics for use by one of several models provided.
Options allow definition of a makeup flow rate and an external heat flow. Models of
horizontal, vertical, or spherical vessels are allowed. Results include component flow
rates for the total vessel mixture, residual liquid, vapor, vent gas, and cumulative vent gas.
Vent rate, heat input, temperature, and pressure for each incremental time step also
appear.
The combined feed streams are mixed adiabatically and are used to initialize the
depressuring unit. Because the liquid holdup in a vessel is usually different from the liquid
fraction in the feed stream, the user should specify the initial liquid holdup. If the HOLDUP
or LIQHEIGHT is specified, the composition of the liquid phase will be set to the
composition of the the liquid phase of the feed and the composition of the vapor phase will
be set to the feed vapor composition.
If the feed is all liquid, and a HOLDUP or LIQHEIGHT is specified, the initial temperature
will be set to the bubble temperature of the feed stream at the feed stream pressure; the
vapor composition will be calculated from the bubble point equilibrium composition.

If no HOLDUP or LIQHEIGHT is specified, the initial holdup will be set to the liquid fraction
of the feed stream at the feed stream temperature and pressure. This option should be
used with care.
An error will be given if the feed stream is all vapor and a HOLDUP or LIQHEIGHT is
specified.
An error will be given if the vessel is all liquid at the initial conditions. Under these
conditions, the user should specify an initial holdup slightly less than the vessel volume.
Input Description
DEPRESSURE UID=uid, {NAME=text}
This must be the first statement of each DEPRESSURING unit.
Feeds (required)
MAKEUP sid
FEED The combined feed streams define the initial composition of the
vessel contents. It may be vapor or mixed liquid and vapor. Some
vapor must be present before depressuring begins.
MAKEUP Optionally allows specification of a stream that serves as a
constant-rate makeup feed. Flow always begins at time zero,
regardless of when depressuring begins.
Products (optional)
PRODUCT sid, {sid, . . .}
PRODUCT The vent gas product at the specified DELPRES or DELTIME time
steps. The unit will create as many products as are entered or are
calculated, whichever is the lesser of the two.
Configuration (required)
VESSEL VOLUME(unit)=value,
{HOLDUP(basis, unit)=value},
or
VESSEL SPHERICAL, DIAMETER(unit)=value,
or
HORIZONTAL(unit)=value, DIAMETER(unit)=value,
VESSEL VERTICAL(unit)=value, DIAMETER(unit)=value,

and
{LIQHEIGHT(unit)=value} or
HOLDUP(basis,unit)=value},
VOLFACTOR=1.0
The VESSEL statement defines the configuration of the depressuring unit. It is required.
VOLUME The total vessel volume.

HOLDUP The intial quantity of holdup liquid, allowed only when vessel
VOLUME is entered. By default, the HOLDUP is saturated
liquid of feed composition at initial conditions. The remaining
vessel volume contains vapor in equilibrium with this liquid.
HOLDUP may be on a mole (M), weight (WT), or actual

volume (V) basis. Moles are the default. Either mole or weight
basis allows a weight unit, while volume basis allows a liquid
volume unit. The volume is the actual liquid volume at the
initial conditions.
SPHERICAL These keywords are alternatives to the VOLUME entry. The
or HORIZONTAL and VERTICAL vessels are cylinders with
HORIZONTAL elliptical end caps. The argument to the HORIZONTAL
or keyword is the tangent to tangent length. The argument to the
VERTICAL VERTICAL keyword is the tangent to tangent height. There
are no default values. Total vessel volume is computed from
these dimensions.
DIAMETER Required with SPHERICAL, HORIZONTAL, or VERTICAL to
define the diameter of the vessel. There is no default value.
Figure 19.1-1 Vessel Dimensions

LIQHEIGHT The height of the holdup liquid in a SPHERICAL, HORIZONTAL,
or VERTICAL vessel. Holdup volume is computed from
LIQHEIGHT and the volume of the vessel. Default is the same as
described for the HOLDUP entry.
WEIGHT Total weight of the vessel material of construction. CP is the
and specific heat of the vessel, defined as: CP = (energy) / (weight
CP unit * temperature unit). WEIGHT and CP must appear together.
The overall heat balance includes the vessel heat capacity only
when these entries appear. Both are required for the
BLOWDOWN model on the HEAT statement; otherwise, they
are optional.
VOLFAC An optional factor that corrects vessel volume for pipes, fittings
and the end plates in SPHERICAL, HORIZONTAL, or VERTICAL
vessels. By default, VOLFAC = 1.0. It applies in the
relationship:
corrected volume = VOLFAC * vessel volume.

OPERATION PFINAL(unit)=value,
FINALTIME(unit )=value or DTIME(unit)=value,
{STEPTIME(unit )=value, ISENTROPIC(basis)=value},
{RELIEFTIME (unit)=0.0 or PRELIEF(unit)=value},
{VTOL=0.0001, XOPTION=STOP, MAXSTEPS=100}
{POPT=SEMI or RIGOROUS, CSTEP= TOTAL or
U U U U
VAPOR or CHOOSE,
CSIZE=0.04}
This statement requires PFINAL, DEPRESTIME, or FINALTIME to define final
depressured conditions. DEPRESTIME and FINALTIME are mutually exclusive. All other
entries are optional.
PFINAL The final vessel pressure. Calculations stop when this

pressure is reached, or when DTIME, FINALTIME or
MAXSTEPS is reached.
DTIME This is the total amount of time allowed for depressuring to
occur, measured from the relief time, when depressuring
begins. If pressure relief begins without delay, DTIME and
FINAL TIME are equivalent. When used with PFINAL,
calculations stop upon reaching either PFINAL, DTIME, or
MAXSTEPS, whichever comes first.
or The elapsed time from the start of an upset to the end of
FINALTIME simulation. It is mutually exclusive with DTIME. When used
with PFINAL, calculations stop after reaching either PFINAL,
FINALTIME, or MAXSTEPS, whichever comes first.

STEPTIME The optional calculation time step. Smaller steps improve
accuracy, but increase computation time. The default is set
with the CSTEP and CSIZE entries.
ISENTROPIC The isentropic efficiency of expansion. Its use triggers
isentropic calculations. This option applies only to gas
systems which perform work while expanding. Selecting
MODEL=BLOW on the HEAT statement sets ISEN = 1.0. For
all other models, the default value is ISEN=0.0, signifying
isoenthalpic expansion of the vessel fluid. Entering ISEN with
no argument value defaults to ISEN=1.0.
RELIEFTIME The elapsed time from the start of an upset until the
depressuring relief valve opens. It is an alternative to using
PRELIEF. By default, RELIEFTIME=0.0.
or The pressure at which the relief valve opens. PRELIEF
PRELIEF excludes the use of RELIEFTIME. By default, PRELIEF is set
to the feed pressure in any of the following cases: Both
PRELIEF and RELIEFTIME are missing, or no HEAT
statement, or MODEL=BLOW, or MODEL=CONSTANT on the
HEAT statement.
VTOL The relative tolerance used to converge the volume of the
vessel contents at each time step. The default value is
0.0001.
XOPTION This option allows control of error handling. An error occurs
whenever current pressure exceeds relief pressure by a factor
of 1.5, or vessel pressure begins to rise after falling.
STOP All calculations stop. This is the default.

CONTINUE Calculations continue.
Errors often indicate the valve rate is too low, resulting

in unrealistic answers and long computing times.
MAXSTEPS The maximum number of steps allowed in a depressuring
simulation, measured from the start of the simulation. The
default value is 100.
POPT This option allows control of the liquid and gas property
calculations in the BLOWDOWN model. The default is SEMI;
the program will not recalculate the fluid transport properties if
the temperature change is less than 0.1 K during the
pressure-temperature iterative calculations. The alternative
option, RIGOROUS, recalculates the fluid properties at every
temperature iteration.
CSTEP This option allows the user to specify whether the default time
step is calculated from the total fluid, the vapor holdup, or the
smaller of the two. The options are:

TOTAL Use the total fluid. This is the default.
VAPOR Use the vapor holdup.
CHOOSE Use the smaller of the above options.
If the user selects TOTAL, the STEPTIME will be reduced if

the valve rate times the STEPTIME is larger than the vapor
holdup.
The default step time is calculated from
STEPTIME = CSIZE × (massfluid / vapor )

valverate
CSIZE The amount of fluid or vapor let out during a default step time.
The default is 0.04 for the TOTAL option, and 0.50 for the
VAPOR option.
RELIEFVALVE MODEL=SUPERSONIC, CONSTANT=value,
U U
or
MODEL=SUBSONIC, PBACK(unit)=value,
CONSTANT=value,
or
MODEL=CONSTANT, CONC=value,
or
MODEL=USER, PBACK(unit)=value,
CV =value, CF=1.0,

The RELIEFVALVE statement defines the flow characteristics of the relief valve. Models
are listed in Table 19.1-1.
MODEL Allows selection of the method for calculating valve flow
characteristics. The SUPERSONIC model is the default.
CONSTANT The valve constant for any of the supersonic or subsonic model. It
must account for the dimensional units of all other terms in the valve
rate equation, and has dimensions of (weight/time) / (pressure *
weight/ volume)0.5. If not entered for the supersonic or subsonic model,
P P
an error will be issued.

The valve constant for the CONSTANT relief valve model. The units
CONC are weight rate ( weight / time). THE CONC entry is required when
using the CONSTANT valve model.
PBACK The back pressure on the valve. It is required when
MODEL=SUBSONIC or MODEL=USER. A default of zero is used with
other valve models.
CV For MODEL=USER, CV is the control valve coefficient and must be
entered.
CF The critical flow factor. It is dimensionless and defaults to 1.0.
{QFAC=1.0},
or
MODEL=API2000 or APISCALE or RP520 or
RPSCALE,
{QFAC=1.0}, IWAREA(unit)=value, {AFAC=1.0}
or
MODEL=ISOTHERMAL,
or
{HTCFAC=1.0, DATA= C1 , C2 , C3 , C4 , C5 , B B B B B B B B B B
or
HTAREA(unit)=value,
{DATA= C1 , C2 , C3 , C4 , C5 , },
B B B B B B B B B B
or
{DATA= C1 , C2 , C3 , C4 , C5 ,, }
B B B B B B B B B B
or
IWAREA(unit)=value, QFAC=1.0, AFAC=1.0

Table 19.1-1
Valve Rate Models
MODEL Valve rate (weight/time) =
SUPERSONIC CONSTANT * (P * ρv)0.5 B B P P
0.5
SUBSONIC CONSTANT * ((P-PBACK) * ρv) B B P P
CONSTANT CONC
USER A * Cr * Cv * Yf * (P * ρv)
B B B B B B B B
0.5
P P
where:
P = Absolute (upstream) pressure in the vessel
ρv =
B Vapor density, in units of weight/volume.
B
A = A constant with dimensional units of

1
⎛ weight * volume ⎞ 2
⎜⎜ ⎟
2 ⎟
⎝ pressure * time ⎠
In standard dimensional units used in PRO/II, the value for A is:
1
3
⎛ lb * ft ⎞
2
38.84 ⎜⎜ ⎟
2 ⎟
(English)
⎝ psia * hr ⎠
1
⎛ kg * m 3 ⎞ 2
16.601 ⎜
⎜ kg / cm 2 * hr 2 ⎟⎟ (Metric)
⎝ ⎠
1
⎛ kg * m 3 ⎞ 2
1.6752 ⎜
⎜ kPa * hr 2 ⎟⎟ (SI)
⎝ ⎠
Cr = A dimensionless critical flow factor, where critical flow occurs when
B B
2
PBACK>0.5 * CF * P. Typical value range between 0.8 and 0.9.
B PB P
Cv = A dimensionless control valve coefficient, normally defined as

B B
“the number of gallons of water per minute that passes through

a given flow restriction with a pressure drop of one psi”.
Yf = B A dimensionless critical flow check factor, where:

B
YF = Y - 0.148 Y3, and Y = (1.63 * [(P - PBACK)]0.5)/CF

P P P P
If Y is greater than 1.5, YF is set equal to 1.0.
QFAC=1.0

or
MODEL=API2000 or APISCALE or RP520 or RPSCALE,
(IWAREA(unit)=value,} QFAC=1.0, AFAC=1.0
or
MODEL=ISOTHERMAL,
or
{HTCFAC=1.0, DATA= C1 , C2 , C3 , C4 , C5 , B B B B B B B B B B
or
HTAREA(unit)=value,
{DATA= C1 , C2 , C3 , C4 , C5 , },
B B B B B B B B B B
or
{DATA= C1 , C2 , C3 , C4 , C5 ,, }
B B B B B B B B B B
or
(IWAREA(unit)=value,} QFAC=1.0, AFAC=1.0
The HEAT statement defines heat flow into the vessel between the vessel and an external
source or sink. Positive heat values represent heat flow into the vessel. Table 19.1-2 lists
the available models. When vapor is present at initial conditions, depressuring may
proceed without application of heat or use of the HEAT statement. MODEL= USER is the
default. Refer to the PRO/II Reference Manual for a more detailed discussion.
MODEL Required to select the model for heat input. Table 19.1-2 lists the
various models. Refer to the PRO/II Reference Manual for a
description of these methods.
DATA When MODEL=USER, BLOWDOWN, or FIRERELIEF, the DATA
entry allows input of required constants for the equations in Table
19.1-2. Missing values default to zero. If MODEL= USER or
BLOWDOWN, C1 through C5 may be entered. The FIRERELIEF
model allows only C1, C2 , and C3. The dimensional units of these
constants must result in a computed heat with dimensions of millions
of energy units per time, in problem units.
IWAREA The initial wetted area as required for the API 2000, APISCALE,
RP520, RPSCALE, or fire relief methods. The default requires
dimensions of ft2 for English units and m2 for metric or SI units.
IWAREA is invalid when LIQHEIGHT appears on the VESSEL
statement.
AFAC A dimensionless area scaling factor used with the API2000,

APISCALE, RP520, RPSCALE, or the FIRERELIEF model. AFAC
should be used only when also supplying IWAREA. Refer to Table
19.1-2. The current wetted area used in those models is:

CWAREA = AFAC * IWAREA * (Vs / Vi) or
CWAREA = IWAREA when AFAC is not supplied.
QFAC A dimensionless factor for scaling vessel heat input. The calculated
heat input is multiplied by this factor. Any value greater than zero is
allowed. By default, QFAC = 1.0.
HTAREA The heat transfer area required by the gas blowdown model. The
area is calculated if the vessel geometry is input.
HTCFAC A dimensionless factor for scaling the calculated heat transfer

coefficient when MODEL=BLOW. If used, HTCoverall = HTCcalc *
HTCFAC, where HTCcalc is the calculated HTC, and HTCoverall is
the value used in the calculations. The default is HTCFAC=1.0.
HTCFAC is not allowed when HTC or HTCLIQ and HTCVAP are
used.
or Allowed only for HEAT MODEL=BLOWDOWN, HTC is a constant

HTC value for the overall heat transfer coefficient. HTCVAP is the heat
or transfer coefficient for the vapor phase. HTCLIQ is the heat transfer
HTCVAP coefficient for the liquid phase. If none of these options are used, the
and heat transfer coefficient is computed. Using both HTCVAP and
HTCLIQ HTCLIQ in place of HTC results in an overall heat transfer coefficient
computed from:
( HTCVAP * vapor area) + ( HTCLIQ * liquid area)

HTC =
HTAREA

Table 19.1-2
Heat Flow Models
MODEL= DESCRIPTION OF METHOD
USER User-defined heat transfer defined by:
(default)
Q = C1 + C2 time + C3 (C4 - Tv) + C5 (Vs / Vi)
B
API2000 The API 2000 method, defined by: Q(BTU/hr) = A (CWAREA) , P P where:
A CWAREA (FT2 ) B
20000 20 - 200 1.000
199200 201 - 1000 0.566
963400 1001 - 2800 0.338
21000 > 2800 0.820
This formula applies to uninsulated vessels above ground level.
B
APISCALE The API2000 method, but with scaling: Q(Btu/hr) = A (CWAREA) * (Vs / Vi) P P
0.82
RP520 The API RP520 method, defined by: Q(Btu/hr) = 21000 (CWAREA) P P
This formula applies to uninsulated vessels above ground level.
0.82
RPSCALE The API RP520, but with scaling: Q(Btu/hr) = 21000 (CWAREA) P *(Vs / Vi)
P
ISOTHERMAL Hold temperature constant at its initial value, and use feed pressure as relief
pressure.
BLOWDOWN The blowdown option. The external heat input is defined by
QEXT = (C1 + C2*time + C3*(C4 - Tv) + C5*(Vs/Vi))
The internal heat transfer from the vessel to the fluid is defined by
QINT = HTCVAP*vapor area*DT + HTCLIQ*liquid area*DT
where DT = Tv - Tfluid
The fluid is assumed to do work as it expands and depressures. The default

isoentropic efficiency is 1.0. The change in fluid enthalpy is defined as
ISEN*DHISEN + QINT*TSTEP

Table 19.1-2
Heat Flow Models
where DHISEN is the change in enthalpy for an isoentropic flash from P1 to

P2 over the time step TSTEP.
The change in the vessel wall temperature is calculated from
(QEXT − QINT × TSTEP

(Vessel weight ×Vessel heat capacity)
C3
FIRERELIEF The fire relief method, described by: Q = C1 C2 (CWAREA P P )
where:
C1 - C5 Constants defined using the DATA entry.
Q Duty in millions of energy units per time unit.
CWAREA The current wetted area defined as:
CWAREA = IWAREA * AFAC * (Vs / Vi)
IWAREA The input value of area, converted to square feet.
Vs B The volume of the liquid fluid inside the vessel at the current time step.
B
Vi B The volume of the liquid inside the vessel at initial conditions.

B
Tv
B The vessel temperature in the current time step.
B
Tfluid
B The fluid temperature in the current time step.
B

PRINT COMPOSITION=ALL, {WTOPT},
U U
{RELIEF or DELPRES(unit)=value or
DELTIME(unit)=value}
The PRINT statement is optional. It allows control of intermediate and final printed results.
WTOPT This entry prints selected data on a weight basis. Without

it, all results are reported on a mole basis. WTOPT
reports only total weight when COMPOSITION=NONE.
COMPOSITION Controls printing of component compositions. The default
is COMPOSITION=ALL. Options include:
ALL Report component compositions at all
steps.
PART Report component compositions only at
initial, final, and (if applicable) relief
conditions.
NONE Suppress all reports of component
compositions.
RELIEF Reports only initial, final, and relief conditions.

or Defines pressure interval used to report intermediate
DELPRES results.
or Defines a time interval used to report intermediate results.
DELTIME The default uses calculation time step (STEPTIME) when
none of these entries is supplied.
PLOT {TEMP, PRES, COMB}
The PLOT statement, and each entry on it is optional. It allows for control of the
plot results.
TEMP This entry will generate a plot of the temperature profile
against time.
PRES This entry will generate a plot of the pressure profile
against time.
COMB This entry will generate a plot of both the temperature and
pressure profiles against time on the same plot.

or
Valid <param> entries are listed in Table 19.1-3. Multiple DEFINE statements are
allowed. Refer to Section 10.5 for a description of the DEFINE feature.
Table 19.1-3
Entries Allowed On Define Statements
INPUT Valid <param> Entries
STATEMENT
OPERATION PFINAL, PRELIEF, FINALTIME, RELIEFTIME, DTIME,
TSTEP, ISENTROPIC
RELIEFVALVE CONSTANT, PBACK, CV, CF
HEAT IWAREA, HTAREA, HTC, HTCFAC, HTCVAP, HTCLIQ,
DATA(C1-C5), QFAC, AFAC
VESSEL HOLDUP, VOLFAC, LIQHEIGHT, VOLUME, DIAM,
WEIGHT, CP, HORIZONTAL, VERTICAL

METHOD SET=setid
The METHODS statement allows selection of one thermodynamic method set when two
or more sets appear in the problem. Refer to Section 10.2 for information about defining
and selecting thermodynamic sets.
Examples
1: Set the initial charge volume at 10.02 cubic meters of stream 20 in a vessel having a
volume of 64.52 cubic meters. Start depressuring at a 98 psia, and continue for 0.4 hours
using a calculation step of 1.0 minute. Model the heat input using the API RP520
equation with an initial wetted area of 16.98 square feet. Model the relief valve with the
default supersonic flow correlation with a constant of 669.2. Report intermediate results
every 0.05 hours, including plots of vessel fluid temperature and pressure profiles on a
single, combined plot.
DEPRESSURE UID=1, NAME=V-230
FEED 20
VESSEL VOLUME(M3)=64.52, CHARGE(LV,M3)=10.02
OPER FINALTIME(HR)=0.4, PRELIEF(PSIA)=98 &
STEPTIME(MIN)=1
RELIEFVALVE CONSTANT=669.
HEAT MODEL=RP520, IWAREA(FT2)=16.98
PRINT DELTIME(HR)=0.05
PLOT COMB
2: A routine blowdown requires depressuring a vessel to 5 psig. Since no holdup is
specified, assume a sufficient volume of feed to fill the vessel at the feed temperature and
pressure, which correspond to the relief conditions. Use the default time interval for
calculations, printouts, and plots. Report the vent quantity of each component in weight
units and moles. Print separate plots of vessel fluid temperature and pressure, as well as
a combined plot.
DEPRESSURE UID=2, NAME=BLOWDOWN
FEED 1
VESSEL VOLUME(M3)=597
OPERATION PFINAL(PSIG)=5
RELIEFVALVE MODEL=SUPERSONIC, CONSTANT=2900
PRINT WTOPT
PLOT TEMP, PRES, COMB

19.2 – UPSTREAM
U
UNIT OPERATION
Keyword Summary
UPSTREAM UID=uid, {NAME=text}
Feeds (required)
Product
The PRODUCT statement is required for the SELECTOR option, optional for the GOR
option, and not used for the DROPOUT, RELVOLUME, or CVD options.
PRODUCT V=sid, or L=sid, or W=sid, or M=sid

The OPERATION statement is required. The GOR statement is required if this operation
is selected. The DROPOUT and RELVOLUME statements are optional. Operation
statements follow for each of the UPSTREAM operation options:
Stream Selector
OPERATION SELECTOR, STREAM=sid
Gas Oil Ratio

OPERATION GOR, {RFPL(unit)=value}, {RFTL(unit)=value},
T T
{RFPV(unit)=value}, {RFTV(unit)=value}
GOR temperature, pressure / temperature, pressure/ ...
Liquid Dropout
OPERATION DROPOUT, {REFPRESSURE(unit)=value},
{REFTEMPERATURE(unit)=value}, PEND(unit)=value,
[POINTS=value or DP(unit)=value]
DROPOUT pressure, dropout, {weighting factor} / &
pressure, dropout, {weighting factor} / ...
Relative Volume
OPERATION RELVOLUME, {REFPRESSURE(unit)=value},
{REFTEMPERATURE(unit)=value}, PSTART(unit)=value,
PEND(UNIT)=value, [POINTS=value or DP(unit)=value]
Chapter 19.2 UPSTREAM UNIT OPERATION 837

RELVOLUME pressure, relative volume, {weighting factor} / &
pressure, relative volume, {weighting factor} / ...
Constant Volume Depletion

OPERATION CVD, {REFPRESSURE(unit)=value},

METHODS SET=setid
General Information
The UPSTREAM unit operation allows the user to perform a certain number of tasks that
are typical in oil and gas exploration and production activities. However, some of these
operations are useful in other types of flowsheets. The features covered by the
UPSTREAM unit are:
Stream Selector (SELECTOR): Allows the user to run the same flowsheet repeatedly
with changing inlet stream characteristics (temperature, flowrate, and composition). The
user declares all the possible feed streams and selects one to feed the UPSTREAM unit.
Combining this unit with the CASESTUDY option facilitates the comparison of flowsheet
feed stocks.
Gas Oil Ratio (GOR): Allows the user to calculate the Gas Oil Ratio on the basis of a
series of isothermal flashes.
Liquid Dropout (DROPOUT): Allows the user to calculate the liquid dropout curve for a
gas condensate reservoir fluid as a function of pressure at constant temperature.
Relative Volume (RELVOL): Allows the user to calculate the volume as a function of
pressure at constant temperature.
Constant Volume Depletion (CVD): Allows the user to simulate the emptying of a
vessel at constant temperature and constant volume.
Input Description
UPSTREAM UID=uid, {NAME=text}
This must be the first statement of each UPSTREAM unit.
Feeds (required)

For the Stream Selector:
FEED A list of all possible streams which are allowed feed streams
to the UPSTREAM unit when the Stream Selector operation
is used. Recycle streams are not permitted as feed streams.
For all other operational options:
FEED The combined feed streams define the initial composition fed
to the unit.
Product
The PRODUCT statement is required for the STREAM SELECTOR, optional for the GOR
option, and not used for the DROPOUT, RELVOLUME, or CVD options.
PRODUCT V=sid, or L=sid, or W=sid, or M=sid
For the Stream Selector:
PRODUCT The required product statement identifies the stream which

has been selected by the unit. Only one product stream may
be identified.
For the GOR:
PRODUCT The optional product statement identifies the streams which

are produced by the GOR calculation. Up to three streams
may be identified as described below.
The product stream identified by V=sid corresponds to the
sum of all vapors produced at the different stages of the GOR
process. It is set at the thermal condition that corresponds to
the liquid reference conditions RFTL and RFPL (see GOR
OPERATION statement below). Because it comes from a
mixture of vapor phases at different temperatures and
pressures, this stream is not necessarily a vapor and could
contain water.
The product stream identified by L=sid corresponds to the

last liquid produced at the last stage of the GOR process. It is
set at the thermal condition that corresponds to the liquid
reference conditions RFTL and RFPL (see GOR
OPERATION statement below). It is supposed to be a
saturated liquid phase and could contain water.
The product stream identified by W=sid corresponds to the

sum of all water phases decanted at each stage of the GOR
process. It is set at the thermal condition that corresponds to
the liquid reference conditions RFTL and RFPL (see GOR

OPERATION statement below).

OPERATION SELECTOR, STREAM=sid
or
OPERATION GOR, {RFPL(unit)=value}, {RFTL(unit)=value},
T T
{RFPV(unit)=value}, {RFTV(unit)=value}
or
GOR(unit,unit) temperature, pressure / temperature, pressure/ ...
or
OPERATION DROPOUT, {REFPRESSURE(unit)=value},

DROPOUT(unit) pressure, dropout, {weighting factor} / &
pressure, dropout, {weighting factor} / ...
or
OPERATION RELVOLUME, {REFPRESSURE(unit)=value},

{REFTEMPERATURE(unit)=value}, PSTART(unit)=value,
PEND(UNIT)=value, [POINTS=value or DP(unit)=value]
RELVOL(unit) pressure, relative volume, {weighting factor} / &
pressure, relative volume, {weighting factor} / ...
or
OPERATION CVD, {REFPRESSURE(unit)=value},
The OPERATION statement specifies the desired calculation option for the UPSTREAM
unit. Only one operational specification is allowed in each UPSTREAM module.
SELECTOR This calculation mode allows the user to isolate one feed stream
from a user-defined list for use in later calculations. This is a
very useful when the user must run a flowsheet repeatedly with
different feeds.
GOR This calculation mode allows the user to compute the Gas Oil
Ratio (GOR) as defined through a process of user-defined
flashes specified on the GOR statement.
The GOR is computed as the ratio of the sum of the ideal

volume of all produced gas phases at the vapor reference
conditions (T=RFTV, P=RFPV) to the actual volume of the last
liquid at the liquid reference conditions (T=RFTL, P=RFPL)
using the liquid density model selected by the user.

The GOR value and the declared products of the UPSTREAM
unit are accessible to the CALCULATOR, CONTROLLER,
MVC, and OPTIMIZER, allowing the user to perform other
calculations with these results.
DROPOUT This calculation mode allows the user to compute the liquid
dropout curve for a gas condensate reservoir fluid at a specified
temperature. PRO/II produces tabular results and a printer plot
of pressure versus the percentage of liquid volume produced by
the flash with respect to the volume occupied by the vapor at its
upper dew point saturation pressure or at any higher pressure
(e.g., reservoir pressure).
If the user provides experimental values, they will appear in the

table and plot, and the PRO/II will calculate the weighted sum of
squares of the absolute errors (AERR) and the weighted sum of
squares of the relative errors (RERR). These errors as well as
the dew point pressure (PDEW) are accessible to the
CALCULATOR, CONTROLLER, MVC, and OPTIMIZER,
allowing the user to tune thermodynamic parameters to match
the experimental data.
RELVOLUME This calculation mode allows the user to compute the relative
volume of a fluid over a specified pressure range at a specified
temperature. PRO/II produces tabular results and a printer plot
of pressure versus the relative volume of the fluid with respect
to a reference pressure.
If the user provides experimental values, they will appear in the

table and plot, and PRO/II will calculate the weighted sum of
squares of the absolute errors (AERR) and the weighted sum of
squares of the relative errors (RERR). These errors are
accessible to the CALCULATOR, CONTROLLER, MVC, and
OPTIMIZER, allowing the user to tune thermodynamic
parameters to match the experimental data.
In the highly unusual event that water is present in the system,

PRO/II will decant it during each flash calculation. However,
water will saturate the vapor and liquid phases, and this will
affect the value of the computed relative volumes.
CVD This calculation mode allows the user to simulate, at a specified

temperature, a vessel that releases gas while maintaining the
initial volume over a desired pressure range. This feature is
typically used for oil and gas systems.

The system must contain some vapor at its initial conditions
(T=REFT, P=REFP) or PRO/II will not execute the calculations.
PRO/II ends the CVD calculations when the lowest pressure
(PEND) has been reached. However, if the system cannot
produce any more vapor by depletion at a given pressure within
the specified range, PRO/II will terminate its calculations.
Select your reference and end conditions carefully to avoid
these situations.
PRO/II produces tabular results and plots giving pressure

versus the standard volume of released gas, the cumulative
standard volume of released gas, the MW of the released gas,
and the actual volume of the liquid left in the vessel.
STREAM This is the position number of the stream on the FEED

statement that PRO/II will copy to the PRODUCT stream of the
UPSTREAM unit when the SELECTOR mode is chosen. The
number assigned to STREAM must be an integer value, greater
or equal to one. For example, STREAM=3 requires PRO/II to
copy the third stream appearing on the FEED statement into the
UPSTREAM product stream.
The CASESTUDY Unit can change the STREAM number in

order to review all or part of the streams on the FEED
statement.
RFPV. Specifies the reference conditions (pressure and temperature)

RFTV for the computation of the ideal vapor volume in the GOR mode.
Defaults to STDPRES and STDTEMP parameter values given
in the General Data Section.
RFPL, Specifies the reference conditions (pressure and temperature)

RFTL for the computation of the volume of the last liquid in the GOR
mode. Defaults to STDPRES and STDTEMP parameter values
given in the General Data Section.
REFPRES, Specifies the reference conditions (pressure and temperature)

REFTEMP for the RELVOL, CVD, and DROPOUT modes. REFTEMP
defaults to the merged feed stream temperature.
For the RELVOL and CVD modes, REFPRES defaults to the

merged feed stream pressure. In the RELVOL mode,
REFPRES typically corresponds to a saturation point (the
bubble point in most cases).
For the DROPOUT mode, REFPRES defaults to the dew point

pressure. In this mode, REFPRES, typically specified as the
reservoir pressure, will be overridden during calculation if it is

found to be lower than the dew point pressure. In this case,
PRO/II will use the dew point pressure for the liquid dropout
calculation. The user-specified value of REFPRES will not be
changed internally but a warning message will be issued to alert
the user.
PEND(unit) Specifies the lowest pressure for the DROPOUT, RELVOL, and
CVD calculations.
PSTART(unit) Specifies the highest pressure for the RELVOL calculation.

Typically, PSTART > REFPRES > PEND in order to compute
both sides of the curve.
POINTS Specifies which pressure values PRO/II will use for the
or computation. The user may define either the number of
DP(unit) POINTS=N (where N <100) or a specific step size between
U U
consecutive pressure values (DP(unit)=value).
In the DROPOUT and CVD modes, PRO/II determines the

pressure values between REFPRESSURE (or perhaps the dew
point pressure in DROPOUT) and PEND.
In the RELVOL mode, PRO/II determines the pressure values

between PSTART and PEND.
Mode Specific Input

GOR(unit, unit) temperature, pressure / temperature, pressure/ ...
This statement is required for the GOR calculation. It specifies the temperature and
pressure conditions for each of the flashes (excluding reference states). A maximum of
100 Temperature/Pressure points can be entered. The feed streams to the unit are
combined and flashed at the first set of thermal conditions. The resulting liquid stream is
flashed at the second set of thermal conditions, and the process repeats until all thermal
conditions have been processed at which point the GOR value is calculated at the
specified reference thermal conditions.
The GOR computation uses the liquid volume (at T=RFTL, P=RFPL) using the
composition of the liquid produced by the last flash. For this volume calculation, the fluid
should be totally liquid. If however the fluid vaporizes at the reference conditions, a
warning message is issued.
If water is present in the system, it will be decanted during each flash calculation;
however, the vapors and the last liquid will be saturated with water and this will affect the
value of the computed GOR.
If the liquid phase disappears at any set of conditions, a zero GOR value is produced and
a warning message is given. None of the declared Product streams will be calculated in
this event.

If the thermal conditions listed on the GOR statement are in units of measure other than
the default UOM, they are changed in the GOR statement [e.g., GOR(F, psia)].
DROPOUT(unit) pressure, dropout, {weighting factor}/ ...
This statement is optional for the DROPOUT calculation. It allows the user to provide
available experimental data for comparison. A maximum of 100 experimental points can
be entered. The user may provide the experimental pressure, the corresponding
percentage of liquid volume with respect to the volume of the gas at reference conditions,
and the weight assigned to each experimental data point (this value is optional and
defaults to 1.0). Based on these experimental data points, PRO/II computes the absolute
and relative differences between the experimental and calculated value for each data
point and reports the weighted sums of the squared absolute and relative errors as AERR
and RERR, respectively.
The user can specify the pressure unit of measure if different than its default unit.
RELVOLUME(unit) pressure, relative volume, {weighting factor}/ ...
This statement is optional for the RELVOLUME calculation. It allows the user to provide
available experimental data for comparison. A maximum of 100 experimental points can
be entered. The user may provide the experimental pressure, the corresponding relative
volume with respect to the reference volume at reference conditions, and the weight
assigned to each experimental data point (this value is optional and defaults to 1.0).
Based on these experimental data points, PRO/II computes the absolute and relative
differences between the experimental and calculated value for each data point and reports
the weighted sums of the squared absolute and relative errors as AERR and RERR,
respectively.
The user can specify the pressure unit of measure if different than its default unit.

METHODS SET=setid
Examples
1. STREAM SELECTOR. Use one input file to run five different feed stocks through a
propane/propylene splitter (see Application Brief P1 for column details).
The STREAM SELECTOR operation can be used with CASE STUDY, to vary feed
streams while limiting the simulation to one input file.
TITLE CASE=CASE1, PROBLEM=P1MOD
COMPONENT DATA
LIBID 1, C2 / 2, PROPENE / 3, C3 / 4, NC4
THERMODYNAMIC
METHOD SYSTEM=PR, DENSITY(L)=LK
KVALUE
KIJ 2,3,0.00663

STREAM DATA
PROP STREAM=A1, PHASE=L, PRES=240, COMP=0.3/550/200/5
UNIT OPERATION DATA
UPSTREAM UID=UP1,
FEED=A1, A2, A3, A4, A5
PRODUCT M=FD
OPERATION SELECTOR, STREAM=1
COLUMN UID=C3SP
PARA TRAY=149, IO=40
FEED FD, 110
PROD OVHD=TOPS, 542, BTMS=BOTS
COND TYPE=BUBB
PRES 1,220/2,225/149,250
HEAT 1,1/2,149
ESTI MODEL=CONV, RRATIO=15
SPEC STRM=BOTS, COMP=2, FRAC(V), VALUE=0.04
SPEC STRM=TOPS, COMP=3, FRAC(W), VALUE=0.004
VARY HEAT=1,2
CASESTUDY OLDCASE=CASE1, NEWCASE=CASE2
CHANGE UPSTREAM=UP1, PRODUCT, VALUE=2
CASESTUDY OLDCASE =CASE2, NEWCASE =CASE3
CHANGE UPSTREAM =UP1, PRODUCT, VALUE UE=3
CHANGE UPSTREAM =UP1, PRODUCT, VALUE =4
CHANGE UPSTREAM =UP1, PRODUCT, VALUE =5
END
2. GOR OPERATION. Simulate the following four stage process:
1. The reservoir fluid S0 is flashed at 100 C and 106 bars, producing vapor V1,
liquid L1, and water W1.
2. Liquid L1 is subsequently flashed at 60 C and 30 bars, producing vapor V2, liquid
L2, and water W2.
3. Liquid L2 is subsequently flashed at 30 C and 10 bars, producing vapor V3, liquid
L3, and water W3.
4. Liquid L3 is subsequently flashed at 30 C and 1 bar, producing vapor V4, liquid
L4, and water W4.

Next, all vapor streams produced (V1, V2, V3, and V4) are added together and the
corresponding ideal vapor volume is computed at vapor reference conditions of 15 C and
1 atm. The flowing volume of the last liquid L4 is computed at liquid reference conditions
of 15 C and 1 atm. The ratio of these two numbers provides the gas oil ratio.
TITLE
DIMENSION METRIC, PRESS =BAR
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,NC4/5,NC5/6,NC6/7,NC7/8,NC8/9,NC10/10,NC14
THERMODYNAMIC DATA
METHOD SYSTEM=PR, DENSITY(L)=LK
KVALUE FILL=CPHC
STREAM DATA
PROP STREAM=S0, TEMP=125, PRES=159,
COMP=35 /3 /4 /6 /4 /3 /5 /5 /30 /5
UNIT OPERATION DATA
UPSTREAM UID=UP1
FEED=S0
PROD V=VGOR, L=LGOR
OPERATION GOR, RFTV=15, RFPV(ATM)=1, RFTL=15, RFPL(ATM)=1
GOR 100, 106/60,30/30,10/30,1
CALCULATOR UID=CAL1
RESULT 1, GOR/ 2, WOBBE/ 3, GHV/ 4, LHV/ 5, ACT_DENSITY
DEFINE P(1) AS UPSTREAM=UP1 GOR
DEFINE P(2) AS STREAM=VGOR WOBBE
DEFINE P(3) AS STREAM =VGOR GHV
DEFINE P(4) AS STREAM =VGOR LHV
DEFINE P(5) AS STREAM =LGOR ADEN
PROCEDURE
R(1) = P(1)
R(2) = P(2)
R(3) = P(3)
R(4) = P(4)
R(5) = P(5)
RETURN
END
In this example, the CALCULATOR is used to retrieve and report several important
physical properties for oil and gas activities, including the GOR. Also note that the CPHC
Kvalue Fill Option has been used with the PR thermodynamic system to estimate any
missing hydrocarbon/hydrocarbon binary interaction parameters.
3. DROPOUT OPERATION. Compute the Liquid Dropout Curve starting from the
reference pressure of 400 bars down to 50 bars, using 50 points. Additionally, you are
supplied with five experimental data points from a PVT report:
(Pressure, Dropout) = 234, 3.5/ 202, 6.4/ 195, 9.3/ 160, 6.8/ 134, 4.7
TITLE
.

.
.
UNIT OPERATION DATA
UPSTREAM UID=UP1
FEED S0
OPERATION DROPOUT, REFTEMP=120, REFPRES=400,
PEND=50, POINTS=50
DROPOUT 234, 3.5, 1.0/ 202, 6.4, 1.0/ 195, 9.3, 5.0/ 160,
6.8, 1.0/ 134, 4.7, 1.0
END
For each of the data points, a weighting factor of 1.0 is used except for the third data set
for which the weighting factor is specified as 5.0.
4. RELATIVE VOLUME OPERATION. Compute a relative volume curve with 51 points
between 50 and 250 bars for a known stream at its bubble point at 120 C. Compare the
predicted results with some experimental data.
TITLE
DIME METRIC, PRES=BAR
COMPONENT DATA
THERMO DATA
METHOD SYSTEM=PR, DENS(L)=LK
STREAM DATA
PROP TREAM=1, TEMP=400, PRESS=300,
COMP=35 /3 /4 /6 /4 /3 /5 /5 /30 /5
UNIT OPERATION DATA
FLASH UID=F1
FEED 1
PROD L=2
BUBB TEMP=120
UPSTREAM UID=UP1
FEED 2
OPERATION RELVOL, PSTART=250, PEND=50, POINTS=51
RELVOL 201, 0.96/ 149, 0.983/ 132, 0.994/ 109, 1.066/ 101, 1.151
END
5. CONSTANT VOLUME DEPLETION. Compute a constant volume depletion curve with
an ending pressure of 10 bars and a DP of 0.1 bars between points. The reference
temperature and pressure are 150 C and 100 bars, respectively.
TITLE
DIME METRIC, PRES=BAR
COMPONENT DATA

THERMO DATA
METHOD SYSTEM=PR, DENS(L)=LK
STREAM DATA
PROP STREAM=1, TEMP=150, PRES=100,
COMP=35 /3 /4 /6 /4 /3 /5 /5 /30 /5
UNIT OPERATION DATA
UPSTREAM UID=UP1
FEED 2
OPERATION CVD, PEND=10, DP=0.1
END
The above input will generate 901 points.

19.3 –BATCH
U
DISTILLATION
T BATDISTILL UID = uid, {NAME = text}
Column and Calculation Parameters (required)

PARAMETER COLTRAY = value (value 0 or greater)
or STAGE = value,* (value 2 or greater)
{EBALINTERVAL (unit) = value}
Feeds (required)
FEED sid, sid, ...
Products (optional)(required if prodsid is referred to in the operation policy.
HEEL and ACCUMULATOR will be given default sid's if not given here)
PRODUCT L = prodsid/prodsid/..., OVHD=prodsid,
HEEL = prodsid, ACCUMULATOR = prodsid
EQUILIBRIUM CONPHASE=VLLE/VLE
CONMETHOD=MID
VLLECHECK=ON/OFF
Condenser Type and Specification (optional)

CONDENSER TYPE = BUBB or MIXED or DTBB or PART Of TFIX, *
U U
TEMP(unit) = value, * (for MIXED and TFIX condenser only)
DT(unit) = value (for DTBB condensers only)

U = value (Real value)
AREA =value (Real value)
CMETHOD= methodID(coolant side Thermo)
TOLERANCE = value(Real Value)
or
TPASS=value (Integer)
Chapter 19.3 BATCH DISTILLATION 849

SPASS=value (Integer)
or
FT=value(Real value)
Reboiler Specification
REBOILER HMETHOD= methodID (Heating MediaThermo)
U=value (Real value)
AREA=value (Real value)
TOLERANCE = value (Real Value)

PRESSURE(unit) stgno, value/...
or
PSPEC PCON (unit)=value, {PTOP(unit) = value,} *
PPOT (unit) = value or DPCOL(unit) = value or
DPSTAGE (unit) = value
Stage Liquid Holdup Specification (required)

HOLDUP(basis, unit)stgno, value/...
T HCOND (basis, unit) = value
T (M, Wt, LV basis)
or LHOLD(basis,unit) = value (M, Wt, LV basis)
or L1CHOLD(basis,unit) = value (M, Wt, LV basis)
L2CHOLD(basis,unit) = value * (M, Wt, LV basis)
HLDSPEC HCOND (basis, unit) = value, *
HTRAY (basis, unit) = value (constant value for each
tray)
General Stop Criteria (one statement required, multiple allowed}

STOP MAXTIME(unit) = value, * (required)
or CHGFRAC(basis) = 0.1, * (stillpot charge fraction)
or AMOUNT(basis, unit) = {cnoi,cnoj}value/..., *
B B B B
or FRACTION or
U U
PURITY (PERCENT or, basis) = cnoi, {cnoj,}value/..., *

B B B B

PPM
or TEMPERATURE(unit) = value,*
(the following apply to AMOUNT, PURITY and TEMPERATURE}
ACCUM or
POT or
IN = INSTDIST or /...
TOPV
EITHER or
U U
{APPROACH = ABOVE or /...

BELOW
GOTO=pseg/...} (GOTO also may apply to CHGFRAC)
Snapshot specification
SNAPSHOT PSEG = policyid, TYPE = AVER/END
PLOTDATA STARTTIME(units)=time,
ENDTIME(units)=time
FREQUENCY(units)=time
Operation Policy (required, multiple POLICYSEG statement sets allowed)

POLICYSEG ID = pseg, {SINGLE or MULTIPLE}
U U
Each set of the following statements (START, CHARGE, DRAW, DISTILL, SPEC, VARY,
RUNUNTIL, ENDCUT, GOTO) must immediately follow the corresponding POLICYSEG
statement. START is optional. At least one of CHARGE, DRAW, DISTILL, ENDCUT, or
GOTO is required.
Multiple START statements are allowed within a POLICYSEG set.
START SEQUENTIAL, *
U U
or WITH = pseg
or {PENDED = pseg {and conditions below}}
or TIME(unit) = value, *
AMOUNT(basis, unit) = {cnoi, cnoj,} value/...,*
B B B B
or FRACTION or
U U
PURITY (PERCENT or, basis) = cnoi, {cnoj,} value/..., * B B B B
PPM

ACCUM or
POT or
TOPV
EITHER or
U U
{APPROACH = ABOVE or /... }

BELOW
Multiple CHARGE statements are allowed within a POLICYSEG set.
CHARGE FEED = sid, {CHGID = chgid,} *
{STILLPOT or STAGE = stgno}
AMOUNT(basis, unit) = value, (instantaneous)
or RATE(basis, unit) = value,* (continuous)
{DTIME(unit) = value}
or AMOUNT(basis, unit) = value,* (continuous)
{DTIME(unit) = value or RATE(basis, unit) = value}
TOPVAPOR(basis, rate) = value, (M, Wt, GV basis)
RRATIO = value (molar basis)
or
LRRATIO = value (molar basis)
or
L1RRATIO = value(molar basis)
L2RRATIO = value (molar basis)
and
DISTRATE(basis, unit) = value,(M, Wt, LV basis)
or
LRATE (basis, unit) = value,(M, Wt, LV basis)
Or
L1RATE (basis, unit) = value,(M, Wt, LV basis)
L2RATE (basis, unit) = value,(M, Wt, LV basis)
PREVIOUS = (DISTRATE / RRATIO)
Multiple DRAW statements are allowed within a POLICYSEG set.

DRAW PROD = prodsid,
{ACCUM or STAGE=stgno or STILLPOT}
AMOUNT(basis, unit) = value, (instantaneous)
or RATE(basis, unit) = value,* (continuous)
or AMOUNT(basis, unit) = value,* (continuous)
or COOLANT = option (ON/OFF)

CSTREAM= sname
CRATE(basis, units) = value
CDP(units) = value
or HEATMEDIA= option (ON/OFF)
HSTREAM= sname
HRATE(basis, units) = value
HDP(units) = value
SPEC TEMPERATURE(unit) or DTEMP(unit)

FRACTION or
U U
or PURITY(PERCENT or ,basis)
PPM
VALUE = value
STAGE = stgno, {stgno}, *
COMP = cnoi{cnoj/cnok/cnom},*
B B B B B B B B
VARY RRATIO, RMINI(unit) = value, RMAXI(unit) = value,*

or DISRATE, DMINI(unit) = value, DMAXI(unit) = value,*
{CONTRGAIN = 1.0}
Multiple RUNUNTIL statements are allowed within a POLICYSEG set.
RUNUNTIL STEADYSTATE
or TlME(unit) = value
or DTIME(unit) = value
or AMOUNT(basis, unit) = {cnoi, cnoj,} value/...,* B B B B

or FRACTION or
U U
PURITY (PERCENT or, basis) = cnoi, {cnoj,} value/..., * B B B B
PPM
ACCUM or
POT or
TOPV
EITHER or
U U

BELOW
GOTO=pseg/...}
ENDCUT PROD = prodsid PHASE =BULK/L1/L2
GOTO PSEG = pseg
Pressure Profile (optional for policies)
PRESSURE(unit) stgno,value/...
DPTIME(unit) = value
or
PSPEC PCON(unit) = value, {PTOP(unit) =value,}

PPOT(unit) = value or DPCOL(unit) =value or
DPSTAGE(unit) = value, DPTIME(unit) = value
Additional Output Options (optional, multiple statements allowed)

Types of printed output are History, Snapshots at times, and Profiles in time.
PRINT HISTORY = EVENTS or ALL, *
U U
Snapshots: OVERALL(basis)
U U
COLUMN(basis)
U U
TRAYCOMP(basis) (default is no profile output)

Profiles: LRATE(basis)

VRATE(basis)
TEMPERATURE
FRACTION(L or V, basis) (STAGE spec. required)
MBALANCE
(default: no components)
CONTROLLER
(if not specified, default is to print all components on all stages)
Output: COMP = cnoi{cnoj/cnok/cnom/...}
B B B B B B B B
Modifiers: STAGE = stgnoi {,stgnoj} /...

B B B B
(default: at the start and end of all policy statements)

Print times: PSEG(tunit) = pseg{,freq}/...(print only for specified
policy segments)
TIME(tunit) = timeI {,timej, freq}/...
B B B B
{FREQ(tunit) = freq} (default: 12 minutes)

Calculation Method Selection (optional)
INTEGRATION SIT, *
U U (semi-implicit trapezoidal method)
{STEPSIZE(unit) = value, * (default 0.05h)
MSTEPSIZE(unit) =value, * (default 0.1h)
TOLERANCE = 0.1 (TOLERANCE as a percent)
Liquid Density Calculation (optional)

DENSCALC RIGOROUS
U
or SHORTCUT, {TREF(unit) = value} (default TREF is 25°C)

METHOD SET = setid {, stgno/... }
Batch Cycle Time Definition (optional, may be required if in

flowsheet and a feed is output
from another unit)
CYCLE TIME(unit) = value

General Information
BATDISTILL simulates the batch rectifier configuration for batch distillation. The
configuration comprises stillpot, column, condenser and accumulator. Pot, column trays
and condenser are modeled as equilibrium stages. Simple distillation (“Rayleigh”) is
simulated by setting both the number of column trays and the reflux ratio to zero.
Batch operations are specified through an operation policy. The operation policy is divided
into a number of segments in which one or more actions (e.g. charge, distill) take place.
The policy will always start with a charge to the stillpot.
Policy segments are considered as “active" when the integration over time is active. The
simulation can predict time consumption for most active segments. If a segment of the
operation policy contains only non-active actions, such as “instantaneous” charging,
ending a cut (dumping the accumulator), or drawing an “instantaneous" product, there is of
course no predictive capability.
Policy segments in the operation policy will end when any of a variety of user specified
criteria are satisfied, e.g. reaching a given time, a component composition or temperature
in a given location.
More than one policy segment may be in play at the same time, each with its own starting
and stopping criteria. Segments may be started sequentially, i.e. after a preceding
segment ends, or for a variety of reasons similar to the criteria for stopping segments.
Policy segments are classed as sequential or non-sequential, according to their staring
criteria.
The backbone of the operation policy is the required series of sequential policy segments.
Non-sequential segments become necessary when the desired start and stop criteria do
not coincide with those of sequential segments.
In a larger context, possibly a flowsheet with multiple units, the user may be required to
specify the batch cycle time.
Conventions
Stage numbers
Stages are numbered from the top down. In the column itself, a stage
corresponds to an ideal (theoretical) tray. The condenser, or reflux splitter. is
counted as the first stage (stgno = 1) and the stillpot as the last.
INPUT DESCRIPTION
BATDISTILL UID=uid, {NAME=text}
The UID and NAME keywords are common to all unit operation headers and are
documented in Section 42.

Condenser Equilibrium (required for VLLE condenser)
CONMETHOD Condenser Thermodynamic method to be considered at the
condenser. A VLLE/VLE method is chosen which is defined in
Thermo section of the INP file. A VLLE method needs to be
defined in Thermo section of INP file if condenser calculations
are required.
CONPHASE Type of phase equilibrium to be considered at the condenser.
The card comes under Batch Unit Op. Default is VLE. VLLE
option requires a user to supply VLLE thermo in Thermo
section of the INP file. If Phase statement is not given, it is
assumed that VLE is considered at the condenser.
VLLECHECK ON / OFF (optional for VLLE Condenser Thermo)
It is often desirable to check two liquids presence in traysbelow
the condenser as VLE trays, when it is known that VLLE trays
exist. Default VLLECHECK=Off, i.e. no check is done for the
presence of 2 liquid phases in other trays. When ON, the
VLLE Thermo is used to check for the presence of 2 liquids on
each of the trays. In the output, ‘*’ appears next to the Tray
number if 2 liquids are detected. It is emphasized here that
column gets solved using only VLE Thermo and only check is
done at the end of calculations for the presence of 2 liquids.

PARAMETER COLTRAY = value
or STAGE = value
{ EBAUNTERVAL(unit) =value}, *
The PARAMETER statement sets the number of trays in the column or the total
number Of stages, and the time interval for updating the energy balance during
active policy segments.
COLTRAY This entry or STAGE is required. COLTRAY
specifies the number of trays in the column
only. nor including the condenser 01 the
stillpot. Anywhere from zero to unlimited trays
are allowed. The total number of stages is
calculated by adding two to the COt TRAY
specification.
STAGE This entry or COLTRAY is required. STAGE
specifies the total number of stages in the
column system, including condenser and
reboiler. Anywhere from two to unlimited

trays are allowed. STAGE is aliased to
TRAY.
PRO/II considers all Stages in batch distillation as theoretical stages.
EBALINTERVAL Since changes in flowrates do not occur as
fast as changes in composition, the energy
balance calculation does not need to be done
at each step of the time integration. This
entry specifies how frequently the energy
balance is calculated and the flow rates are
updated. For most applications a half hour is
sufficient. If EBALINTERVAL is not specified,
the energy balance is calculated at every
timestep.
Feeds (required)
FEED sid,sid, ...
A separate feed must be defined for all material entering the process with either
different compositions or different flash conditions (T,P, for example). The feeds
are input streams to the PRO/II unit operation which serve as sources from which
the actual charges, defined in the Operation Policy, will be taken. An unlimited
number of feeds are allowed.
Composition and flash conditions for each feed are defined before the feed
enters the batch distillation unit. If the unit is in a flowsheet, any feed that is also
an output from another unit will have a meaningful flowrate. This flowrate will be
reconciled with the use of that feed in charges during the batch cycle.
sid Stream identifier as supplied on the

PROPERTY statement or as a product from
any PRO/II unit operation.
Products (optional)
PRODUCT L = prodsid/prodsid/..., OVHD = prodsid,
HEEL = prodsid, ACCUMULATOR = prodsid
The PRODUCT statement identifies all of the real products from the batch process. Any
product referred to in the operation policy must be declared with the PRODUCT
statement.
At the end of the simulation the column trays will be drained into the still pot, and the reflux
splitter into the accumulator; thus, HEEL and ACCUMULATOR are products which will
always occur. These, as well as possibly OVHD, will be given default names if not
declared here.

prodsid Stream identifiers are defined on the PRODUCT
statement. / The user is free to specify from one to
twelve alphanumeric characters as a product ID.
L Identifies all liquid products other than HEEL and
ACCUMULATOR. All products referred to in the
operation policy are liquid products and must be
defined here.
OVHD If a MIXED condenser is specified, the vapor
overhead from the condenser will be collected in
this product during active policy segments.
HEEL At the end of the simulation, the heel in the pot

and column tray holdups will be combined into this
product.
ACCUMULATOR At the end of the simulation, the contents of the

accumulator and the reflux splitter will be
combined into this product.

CONDENSER TYPE = BUBB or MIXED or DTBB or PART or TFIX, *
U U
TEMP(unit) = value, * (for MIXED and TFIX

condensers only)
DT(unit) = value (for DTBB condensers only)

A condenser is always present. By default it will yield condensate at its bubble point. At
present the condenser is limited to a single liquid phase.
TYPE Defines the condenser type. Condenser types are
as illustrated in Figure 71.2
The MIXED condenser Is to be operated at
specified constant temperature - this differs from
PRO/II usage for steady-state distillation using the
COLUMN unit operation. If the vapor overhead
from a MIXED condenser disappears during
simulation, the condenser type will change
automatically to TFIX. If the molar vapor fraction
increases to VLIM, the MIXED condenser
operation will continue at constant vapor fraction
equal to VLIM.
TEMP Defines the condenser temperature for a MIXED
or a TFIX condenser.

DT Defines the condenser temperature for a DTBB
condenser. The resulting temperature will be
below the bubble point temperature by the number
of degrees specified with DT.
The condenser is extended to 2 liquid phases.
The specifications of CMETHOD, TPASS, SPASS
etc. will be used when one of the policies define
Distill specs based on the Condenser
Specifications.
HXCOOL Coolant Spec information. When ON, will accept
U, AREA and other Heat exchanger specific
information. When OFF this information will not be
used for calculations.
CMETHOD Name of the Thermo to be used for coolant side.
TOLERANCE The accuracy to which the Duty calculations need
to be done. Default value is 5.0e-4.
TPASS,
SPASS TPASS is the number of tube passes, and SPASS
defines the number of shell passes. When both
TPASS and SPASS are missing, the default is
TPASS=2 and SPASS= 1. There are always two
tube passes for each shell pass except where
overridden by the user. If only SPASS is given,
TPASS is set to twice the number of shell passes
for calculation of LMTD correction factors. If only
TPASS is given, SPASS is set to half of TPASS
(or to one, if TPASS=1). Except when TPASS =
SPASS = 1, whenever TPASS is not twice
SPASS, TPASS is reset to twice SPASS and a
warning is issued.
or
FT This is the LMTD correction factor used in a two-
sided exchanger. It should not be entered when
supplying either TPASS or SPASS. If missing, the
exchanger module calculates FT based on the
shell and tube passes.
U
AREA U supplies the value of the overall heat transfer
coefficient, and AREA defines the effective heat
transfer area of the exchanger. Either entry may
be used in any two-sided heat exchanger.
Supplying values for both U and AREA defines a
’UA’ performance specification.

Reboiler Specification (Optional)
REBOILER New card introduced under Batch Group. This
card accepts the HMETHOD, TOLERANCE, U
and AREA keywords each of which is described
as below. This card is used when one of the
policies define Distill specs based on the Reboiler
Specifications.
HMETHOD Name of the Thermo to be used for Heating
Media
TOLERANCE The accuracy to which the Duty calculations need
to be done. Default value is 1.0e-4
U U supplies the value of the overall heat transfer
coefficient.
AREA AREA defines the effective heat transfer area of
the exchanger. Either entry may be used in any
two-sided heat exchanger. Supplying values for
both U and AREA defines a ’UA’ performance
specification

or
PSPEC PCON(unit) = value, {PTOP(unit) =value,} *
DPSTAGE(unit) = value
statement. Stage pressures may not be varied by the batch distillation algorithm, but may
be changed external to the unit by CONTROLLERS, MVCs and OPTIMIZER unit
operations, and CASESTUDIES and INTERACTIVE features.
PRESSURE The pressure is specified for each individual
stage. Pressures must be given for me top and
bottom stages (condenser and stillpot). Optionally,
pressures may be given for any intermediate
stage. The pressure for any stage not defined is
determined by linear interpolation from data given
for the nearest stages above and below.
PSPEC Condenser pressure, column top pressure
(optional), and pressure drop or bottom pressure
are specified. The pressure profile varies linearly

with respect to stage number over the stillpot and
column, and also over the condenser if PTOP is
not given.
PCON The pressure in the condenser .
PTOP The pressure at the top of the column (stage 2).
PPOT The pressure in the stillpot.
This drop includes the condenser if PTOP is
not given.
DPSTAGE The pressure drop per stage. This applies
between the stillpot and condenser unless PTOP
is given, in which case it extends only to the
column top stage. Aliased to DPTRAY and DP.
Stage Liquid Holdup Specification (requjred)

HOLDUP(basis,unit) stgno,value/...
or HLDSPEC HCOND(basis, unit) = value, *
HTRAY(basis,unit) = value (constant value for each)
The amount of liquid contained on the column trays and in the reflux splitter must be
defined on either a HOLDUP or HLDSPEC statement. Usually the most realistic basis for
these definitions will be the volume basis.
HOLDUP The holdup is specified for each individual
stage other than the still pot. Holdups must be
given for the top stage (the reflux splitter stage
1) and for the bottom stage of the column
(stage N-1). Optionally, holdups may be given
for any intermediate stage. The holdup for any
stage not defined is determined by linear
interpolation from data given for the nearest
stage above and below. The HOLDUP card will
also accept HCOND OR L1CH OR L2CH
keywords when user wishes to give separate
or phase specific holdups.
HLDSPEC The holdup is specified for the reflux splitter. All

holdups for column trays are given a constant
value.
HCOND The holdup in the condenser {actually in the
reflux splitter). Alias is LHOLD.
LHOLD The holdup in the condenser (actually in the
reflux splitter). This is same as HCOND but it
can only be used when a VLLE thermo is

specified for condenser. It can take any volume
units basis such as Moles, Wt, Liquid Volume.
or
L1CHOLD The light liquid (L1) holdup in the condenser
(actually in the reflux splitter). This can only be
used when a VLLE thermo is specified for
condenser. It can take any volume units basis
such as Moles, Wt, Liquid Volume.
and
L1CHOLD The heavy liquid (L2) holdup in the condenser
(actually in the reflux splitter). This can only be
used when a VLLE thermo is specified for
condenser. It can take any volume units basis
such as Moles, Wt, Liquid Volume.
HTRAY A constant value for the holdup of each column

tray.
General Stop Criteria (one statement required, multiple allowed)

STOP MAXTIME(unit) = value, * (required)
or CHGFRAC(basis) = 0.1, * (stillpot charge fraction)
or AMOUNT(basis, unit) = {cnoi,cnoj}value/..., *
B B B B
or FRACTION or
U U
PURITY (PERCENT or, basis) = cnoi, {cnoj,}value/..., *

B B B B
PPM
ACCUM or
POT or
TOPV
EITHER or
U U
{APPROACH = ABOVE or /...BELOW GOTO=pseg/...}

General stop criteria remain in effect during the whole operation. If any one of the criteria
is satisfied all policy segments (see POLICYSEG below) currently in play are terminated.
Reaching MAXTIME stops the simulation. With CHGFRAC, AMOUNT, PURITY or
TEMPERATURE, an optional GOTO may be used to transfer operation to a sequential
policy segment; if GOTO is not used, the simulation will stop.

Only one MAXTIME specification is allowed. Only one CHGFRAC specification is allowed.
There may be multiple AMOUNT, PURITY and/or TEMPERATURE specifications.
A given AMOUNT, PURITY or TEMPERATURE criterion can stop operation only once.
That is, once one of these has been met, it is removed from the specified list of general
stop criteria.
MAXTIME must always be given. If more than one keyword from the group CHGFRAC,
AMOUNT, PURITY and TEMPERATURE must be entered, for example, if both a
CHGFRAC and a PURITY criterion are needed, multiple STOP statements will be
required
Associated with MAXTIME, CHGFRAC, AMOUNT, PURITY and TEMPERATURE are
logical switches, which are initialized to false. A switch will move to true if the actual
condition arrives at the specified value (from either direction by default). The stop action
will occur when anyone of the specified switches moves to true. For AMOUNT, PURITY
and TEMPERATURE, the direction of approach for tripping the switch may be restricted,
using the APPROACH keyword.
MAXTIME The maximum simulation time to be allowed. On reaching this time the
simulation will terminate normally, regardless of the state of any of the
policy segments. Only one MAXTIME specification is allowed.
CHGFRAC Switch to true if the contents of the stillpot reach the amount
corresponding to the specified traction of the initial charge to the still pot.
GOTO Subsequent charges during the simulation do not affect this amount. Only
one CHGFRAC specification is allowed.
AMOUNT IN Switch to true when the contents of either accumulator or stillpot for
APPROACH GOTO components cnoi through cnoj, or for the total contents if no component
B B B B
number is given, reach the specified value. Only ACCUM and POT are
allowed as locations with IN. Multiple AMOUNT specifications are
allowed.
PURITY Switch to true when the summed (mole, weight or volume) fractions,
percents or ppm's of components cnoi through cnoj in the specified
B B
IN location reach the specified value, arriving from above, below, or either as
APPROACH GOTO specified. Only POT, INSTDIST and ACCUM are allowed as locations.
The INSTDIST specification refers to the instantaneous distillate liquid
arriving at the accumulator. ACCUM refers to the perfectly mixed
accumulator contents. If ABOVE is specified, the criterion switches to true
only if the specified value is approached from above. Thc BELOW option
corresponds to an approach from below. Multiple PURITY specifications
are allowed.

TEMPERATURE IN Switch to true when the temperature in the specified location reaches the
specified value, Only POT and TOPV are allowed as locations, TOPV
APPROACH GOTO refers to the column top vapor entering the condenser. If ABOVE is
specified, the criterion switches to true only if the specified value is
approached from above. The BELOW option corresponds to an approach
from below. Multiple TEMPERATURE specifications are allowed.
GOTO GOTO is allowed in connection with those conditions where indicated

above. If the simulation has stopped because of the corresponding
criterion, operation will be transferred to the specified policy segment
pseg. If GOTO is not specified, the simulation will stop.
Operation Policy (required, multiple POLICYSEG statement sets allowed)

POLICYSEG ID =pseg, {SINGLE or MULTIPLE}
U U
The operation policy comprises one or more policy segments, each of which is entered
with a POLICYSEG statement followed by one or more statements from the subgroup
START, CHARGE, DRAW, DISTILL, SPEC, VARY, RUNUNTIL, ENDCUT or GOTO. The
policy segments will be initiated in sequential order of entry of the policy segments in the
input file, or according to criteria given on the START statement, except for jumps as
specified with GOTO. GOTO may be an independent action or may be specified in
connection with a given RUNUNTIL or STOP criterion. Several policy segments may be
simultaneously in play.
An unlimited number of policy segments is allowed. Each policy segment requires a
unique identifier. A segment may be prevented from or allowed to execute mote than once
in case of a return to the potential start conditions.
ID A unique identifier for the policy segment, of one
to twelve alphanumeric characters,
SINGLE Indicate whether the policy segment will be carried

out only a single
or time, or allowed to execute again in case of return
to the segment start
MULTIPLE conditions. SINGLE is the default.
Each set of the following statements (START, CHARGE, DRAW, DISTILL, SPEC, VARY,
RUNUNTIL, ENDCUT, GOTO) must immediately follow the corresponding POLICYSEG
statement. At least one of CHARGE, DRAW, DISTILL, ENDCUT, or GOTO is required.

A single policy segment may include several actions (CHARGE, DRAW, DISTILL) if
stopping conditions are compatible. Otherwise, separate segments can be used. The first
policy segment must always include the initial charge to the stillpot, using the CHARGE
action. DISTILL is the only action type during which the integration over time (the actual
distillation simulation) is active.
A policy segment will be classed as sequential if its start is sequential (no START
statement, or START sequential) or if START PENDED is present. All other policy
segments are non-sequential.
The backbone of the operation policy is a series of sequential segments. DISTILL,
ENDCUT and GOTO actions are allowed only in sequential segments. Non-sequential
policy segments are allowed only in connection with CHARGE, DRAW or SPEC and
VARY (controller) actions. Non-sequential policy segments are necessary when start
and/or stop criteria do not coincide with those of a sequential segment.
The START statement is optional. If START is not present in a policy segment, the
segment will be started sequentially, according to the order of entry of policy segments in
the input file. If more than one keyword from the group AMOUNT, PURITY and
TEMPARATURE must be entered, for example, if both a PURITY and a TEMPERATURE
criterion are needed, multiple START statements will be required.
START SEQUENTIAL, *
U U
or WITH = pseg
or {PENDED = pseg {and conditions below}}
or TIME(unit) = value, *
AMOUNT(basis,unit) = {cnoi, cnoj,} value/...,*
B B B B
or FRACTION or
U U
PURITY (PERCENT or, basis) = cnoi, {cnoj,} value/..., *B B B B
PPM
ACCUM or
POT or
TOPV
EITHER or
U U

BELOW
SEQUENllAL Policy segment execution will start when the

sequential pointer reaches the present segment.

The pointer can arrive by ending the preceding
sequential segment (input file order), or as the
result of a GOTO,
WITH Start the present policy segment at the same time
as a sequential policy segment pseg. The present
policy segment will be classed as non-sequential.
To avoid ambiguity about when to start, WITH is
not allowed in the same policy segment with any
from the group TIME, AMOUNT, PURITY or
TEMPERATURE.
PENDED Policy segment ended. Start the present policy

segment immediately on termination of sequential
segment pseg. If one or more of the criteria TIME,
AMOUNT, PURITY or TEMPERATURE is given,
starting the present policy segment is also
dependent on satisfying anyone of these criteria.
The present policy segment will be classed as
sequential.
PENDED is not allowed in the first sequential
policy segment. If any of the criteria TIME,
AMOUNT, PURITY or TEMPERATURE are given
but not met, the present policy segment is not
started, and execution moves to the next
sequential segment after pseg (in PENDED =
pseg).
Except in connection with PENDED, specification of logical criteria TIME, AMOUNT,
PURITY or TEMPERATURE precludes classification of the present policy segment as
sequential. A logical switch is associated with each of these five criteria, initialized to
false.
Set switch to true if the cumulative time, since the start of

the simulation, is greater than or equal to the specified
TIME value. Only one TIME specification is allowed within a
given POLICYSEG set
AMOUNT For AMOUNT, PURITY and TEMPERATURE, refer to the

keyword descriptions for the various combinations given for
IN the STOP statement above. Note that with the START
APPROACH statement GOTO does not apply. Also note that when the
START criteria are evaluated after the end of a previous

policy segment (PENDED specified), the actual criterion
PURITY value may already have passed the specified value, in
IN which case the corresponding switch will have the value
true.
APPROACH
TEMPERATURE
IN
APPROACH
Multiple CHARGE statements are allowed within a POLICYSEG set. The CHARGE action
is used for the initial charge to the stillpot, and any subsequent instantaneous or
continuous charges. Instantaneous charges are allowed only to the pot. Continuous
charges may be to any stage.
CHARGE FEED = sid {CHGID = chgid,} *
{STAGE = stgno}
AMOUNT(basis,unit) = value, (instantaneous)
or RATE(basis,unit) = value, (continuous)
or AMOUNT(basis,unit) = value, * (continuous)
An initial charge to the stillpot must be included in the first sequential policy segment. An
initial charge must correspond to a fixed amount (no RATE without DTIME or AMOUNT).
All initial charges will be completed before distillation (DISTILL) is started.
If intended initial charges are specified partly as instantaneous charges and partly as
continuous charges with specified or implied duration (RATE with DTIME or AMOUNT),
only the instantaneous charges will be taken as initial charges.
If all initial charge(s) are specified as continuous with specified or implied duration, then
they must be in the first sequential policy segment (see above) and that segment cannot
include a DISTILL specification (see below). The charge(s) will be treated as
instantaneous: only the amount(s) will be used, and the distillation clock will not be started
until the total initial charge is complete.
Any instantaneous charge in the same policy segment with a DISTILL action, or in a policy
segment starting simultaneously with a DISTILL policy segment, will be carried out before
starting the DISTILL action.
Except for the initial charge as discussed above DISTILL action must be active in order for
continuous charging to occur.

To avoid ambiguity about when to stop, a charge with duration either specified (DTIME
given) or implied (AMOUNT and RATE given) is not allowed in the same policy segment
with a DISTILL specification.
FEED Entry of the sid refers to the stream on the FEED
statement which is to be used as source for the
charge.
CHGID A unique textual description for the charge. one to

twelve alphanumeric characters, 'chgid' is being
defined here. A default id will be assigned if not
given by the user.
STAGE The number of the destination stage for the
charge. This is not allowed for an instantaneous
charge, but required for a continuous charge.
STILLPOT The charge will be made to the stillpot. This is the
default. The stillpot accepts either instantaneous
or continuous charges. The initial policy statement
requires at least one instantaneous charge to
provide the initial charge into the stillpot.
AMOUNT The amount to be charged. If neither DTIME nor
RATE is present, this is an instantaneous charge.
RATE The flowrate for a continuous charge. If AMOUNT
is also given, RATE defines the duration of the
charge.
DTIME The duration of a continuous charge. If AMOUNT
is also given, DTIME defines the flowrate of the
charge.
Multiple DRAW statements are allowed within a POLICYSEG set. The DRAW action is
used for instantaneous withdrawals from pot or accumulator or continuous withdrawal
from any stage (not from the accumulator).
DRAW PROD =prodsid
{ACCUM or STAGE=stgno or STILLPOT}
or AMOUNT(basis,unit) = value, * (instantaneous)
or RATE(basis,unit) = value, * (continuous)
{DTIME(unit)=value}
or AMOUNT(basis,unit) = value, * (continuous)
{DTIME(unit)=value or RATE=(basis, unit)=value}
An instantaneous draw in the same policy segment with a DISTILL action or in a policy
segment starting simultaneously with a DISTILL policy segment, will be carried out before
starting the DISTILL action.

A DISTILL action must be active in order for a continuous draw operation to occur.
To avoid ambiguity about when to stop, a draw with duration either specified (DTIME
given) or implied (AMOUNT and RATE given) is not allowed in the same policy segment
with a DISTILL specification.
PROD Entry of the product stream sid refers to the

stream identified as a product ID on the
PRODUCT statement. Each draw will correspond
to a unique product ID. Each product ID may be
referred to in only one DRAW or ENDCUT
statement.
If neither ACCUM nor STAGE is specified, the product is drawn from the Stillpot.
ACCUM Product is to be drawn from the accumulator.
Allowed only for instantaneous draws.
STAGE The number of the source stage for the product.
STILLPOT The draw will be taken from the stillpot. Allowed
for eithercontinuous or instantaneous draws.
AMOUNT The amount to be drawn. If neither DTIME nor
RATE is present, this is an instantaneous draw.
RATE The flowrate for a continuous draw. If AMOUNT is
also given, RATE defines the duration of the draw.
DTIME The duration of a continuous draw. If AMOUNT is
also given. DTIME defines the flowrate of the
draw.
The DISTILL action corresponds to the actual batch distillation with the clock running. It is
allowed only in a sequential policy segment,'
DISTILL TOPVAPOR(basis, rate) = value,(M, Wt, GV basis)
RRATIO = value (molar basis)
or
LRRATIO = value (molar basis)
or
L1RRATIO = value (molar basis)
L2RRATIO = value0 (molar basis)
and
DISTRATE(basis, unit) = value,(M, Wt, LV basis)
or
LRATE (basis, unit) = value,(M, Wt, LV basis)
or

L1RATE (basis, unit) = value, (M, Wt, LV basis)
L2RATE (basis, unit) = value, (M, Wt, LV basis)
PREVIOUS = (DISTRATE / RRATIO)
Specification of TOPVAPOR and RRATIO or DISTRATE, is required with the DISTILL

statement specifying the first DISTILL action. During anyone policy segment with DISTILL
action, TOPVAPOR, RRATIO and DISTRATE will remain predefined or constant. These
variables are persistent, i.e. they remain in effect for subsequent DISTILL policy segment
unless overridden.
TOPVAPOR The vapor rate at the top of the column entering the /
condenser. This is the primary setting for column loading. It
directly affects boil-up, stillpot heat duty and condenser duty.
This rate can now be given in normal ‘Rate’ units such as Mol
rate, Wt rate or Gas Volume rate.
Topvapor without any value will assume that Previous Policy

TOPV values should be used for the current Policy.
RRATIO The molar reflux ratio, defined as the ratio of

condenser liquid product returned to the column
on stage 2, over the total distillate, i.e. distillate
liquid plus any overhead vapor. This specification
will be overridden by a subsequent specification of
DISTRATE.
or
LRRATIO The molar reflux ratio for bulk liquid phase,defined
as the ratio of condenser liquid product returned to
the column on stage 2, over the total distillate.
This specification will be overridden by a
subsequent specification of DISTRATE. This is
same as RRATIO for VLE while LRRATIO can be
given with Condenser VLLE Thermo.
or
L1RRATIO The molar reflux ratio for L1 liquid or lighter phase
liquid. It is defined as the ratio of condenser
lighter liquid (L1) product returned to the column
on stage 2, over the total distillate. This
specification will be overridden by a subsequent
specification of L1RATE. Available ONLY for VLLE
thermo condenser.
or

L2RRATIO The molar reflux ratio for L2 liquid or heavier phase
liquid. It is defined as the ratio of condenser
heavier liquid (L2) product returned to the column
L2RATE. Available ONLY for VLLE thermo
condenser.
DISTRATE The liquid distillate molar flowrate. Liquid distillate

is fed to the accumulator. This specification will be
overridden by a subsequent RRATIO specification.
The first DISTILL policy segment usually starts
with the initialized column contents and runs at
zero liquid distillate flow (total reflux unless an
overhead vapor is present) until the calculations
reach steady state (see STEADYSTATE criterion
under RUNUNTIL. below).
or
LRATE The liquid distillate molar flowrate. Liquid distillate

is fed to the accumulator. Can be given in any
Rate units such as – Mol rate, Wt rate or Liquid
Volume rate. This is equivalent to DISTRATE for
VLE thermo. This specification will be overridden
by a subsequent LRRATIO specification..
or
L1RATE The lighter liquid (L1) distillate molar flowrate.
Liquid distillate is fed to the accumulator. Can be
given in any Rate units such as – Mol rate, Wt rate
or Liquid Volume rate. This must be given ONLY
with VLLE thermo at the condenser to avoid
errors. This specification will be overridden by a
subsequent L1RATIO specification.
and
L2RATE The heavier liquid (L2) distillate molar flowrate.
Liquid distillate is fed to the accumulator. Can be
given in any Rate units such as – Mol rate, Wt
rate or Liquid Volume rate. This must be given
ONLY with VLLE thermo at the condenser to
avoid errors. This specification will be overridden
by a subsequent L2RATIO specification.

PREVIOUS This keyword can be used to choose between
previous policy DISTRATE or RRATIO. Even if
phase specific distillate specifications are given,
the program uses those specifications in the
current policy.
or
COOLANT The option needs to be given in Distill Spec for
considering HX parameters HX parameters when
condenser Duty calculations are carried out.
Default is OFF.
CSTREAM Steam name that is given by Distill specification
for considering the rate, temperature and pressure
drop. Each policy can have a separate stream
name as long as the stream is defined under
STREAM section. The Thermo to be used by this
stream is defined under COND card specification.
CRATE Rate of the stream whose value can be given in

any standard PRO/II units. This will be used for
calculating duty of the condenser and overrides if
TYPE is defined for the condenser for this policy.
CDP Pressure difference to be used in calculating Duty

of the condenser.
or
HEATMEDIA The option needs to be given in Distill Spec for
considering HX parameters HX parameters when
reboiler Duty calculations are carried out. Default is
OFF.
HSTREAM Steam name that is given by Distill specification for
considering the rate, temperature and pressure
drop. Each policy can have a separate stream
name as long as the stream is defined under
STREAM section. The Thermo to be used by this
stream is defined under REBOILER card
specification.
HRATE Rate of the stream whose value can be given in

any standard PRO/II units. This will be used for
calculating duty of the reboiler and overrides if
TYPE is defined for the reboiler for this policy.

HDP Pressure difference to be used in calculating Duty of
the reboiler.
PRESSURE(unit) stgno,value/... DPTIME(unit) = value
or
PSPEC PCON(unit) = value, {PTOP(unit) =value,}

DPSTAGE(unit) = value, DPTIME(unit) = value
The policy pressure profile may be defined on either a PRESSURE or PSPEC statement.
Stage pressures may not be varied by the batch distillation algorithm, but may be changed
external to the unit by CONTROLLERS, MVCs and OPTIMIZER unit operations, and
CASESTUDIES and INTERACTIVE features.
PRESSURE The pressure is specified for each
individual stage. Pressures must be given
for me top and bottom stages (condenser
and stillpot). Optionally, pressures may
be given for any intermediate stage. The
pressure for any stage not defined is
determined by linear interpolation from
data given for the nearest stages above
and below.
PSPEC Condenser pressure, column top

pressure (optional), and pressure drop or
bottom pressure are specified. The
pressure profile varies linearly with
respect to stage number over the stillpot
and column, and also over the condenser
if PTOP is not given.
PCON The pressure in the condenser.
PTOP The pressure at the top of the column

(stage 2).

or
This drop includes the condenser if
PTOP is not given.
or
DPSTAGE The pressure drop per stage. This
applies between the stillpot and
condenser unless PTOP is given, in
which case it extends only to the column
top stage. Aliased to DPTRAY and DP.
DPTIME The time for pressure change from
the previous policy values.
SPEC and VARY are used to specify a dynamic controller. They must be used together.
Only the proportional controller is available at present.
SPEC TEMPERATURE(unit) or DTEMP(unit)
FRACTION or
U U
or PURITY( PERCENT or , basis)

PPM
VALUE=value
STAGE =stgno,{stgno},*
COMP=cnoi{,cnoj/cnok/cnom/...}, *
B B B B B B B B
SPEC refers to me set point of the controlled variable - the variable for which a value is to
be specified.
TEMPERATURE The temperature on the single stage specified with STAGE is
specified at the given value.
VALUE
STAGE
DTEMP The temperature drop between the first and second 'stgno's
VALUE given with STAGE is specified at the value given. The first, 'stgno'
must be greater than the second.
STAGE
PURITY The sum of compositions (fractions, percents or ppm; mole, weight or

volume basis) on the single stage specified with STAGE, for the
VALUE components specified with COMP, is specified at the value given. As
STAGE an example of the component number input for mole fractions xI, B B
“COMP=1,3/6/8,10” implies “(x1+ x2 + x3) + x6 + (x8 + x9 + x10)”.

B B B B B B B B B B B B B B
COMP

VARY identifies the manipulated variable, which will be varied to meet the above
specification.
VARY RRATIO, RMINI(unit) = value, RMAXI(unit) =value
DISTRATE, DMINI(unit)=value, DMAXI(unit)=value,*
{CONTRGAIN = 1.0}
RRATIO Identification of the manipulated variable. RRATIO and

DISTRATE are described above for the DISTILL statement.
or
DISTRATE
RMINI If the manipulated variable is reflux ratio, it will be allowed to

change in the range between RMINI and RMAXI.
RMAXI
DMINI If the manipulated variable is distillate rate, it will be allowed to

change in the range between DMINI and DMAXI.
DMAXI
CONTRGAIN Specifies the gain of the proportional controller, where R is the

ratio of current value to initial value, and man and contr refer to
Rman / Rcontr,
B B B B
manipulated and controlled variables, respectively.
Multiple RUNUNTIL statements are allowed within a POLICYSEG set. RUNUNTIL criteria
are reasons for stopping an individual policy segment, as opposed to the general stop
criteria, which remain in effect during the whole batch distillation.
RUNUNTIL STEADYSTATE
or TIME(unit) = value
or DTIME(unit) =value
or AMOUNT(basis,unit)= {cnoi,cnoj,} value/..., *
B B B B
or FRACTION or
U U
PURITY (PERCENT or,basis)=cnoi,{cnoj,}value/...,*

B B B B
PPM
or TEMPERATURE(unit) =value, .
ACCUM or
POT or
TOPV

EITHER or
U U
{APPROACH = ABOVE or /...

BELOW GOTO=pseg/...}
Associated with the criteria STEADYSTATE, TIME, DTIME, AMOUNT. PURITY and
TEMPERATURE are logical switches which are initialized to false. If more than one
criterion from this group must be entered, for example, if both DTIME and PURITY are
needed, multiple START statements will be required.
Satisfaction of any one of the logical criteria on the one or more RUNUNTIL statements
within a policy segment is sufficient to terminate a DISTILL action. If the present policy
segment is sequential, operation will then move to the next sequential step (input file
order) unless redirected by GOTO (see below).
STEADYSTATE Switch to true when process conditions have
reached steady state. Allowed only for operation at
zero liquid distillate rate.
TIME Switch to true when the cumulative process time,
since the start of the simulation, reaches the
specified value.
DTIME Switch to true when the incremental time within
the present policy segment reaches the specified
value.
If any one of the remaining criteria is satisfied, GOTO may be used, if the present policy
segment is sequential, to transfer operation to another sequential policy segment.
AMOUNT For AMOUNT, PURITY and TEMPERATURE, refer to the keyword
descriptions for the various combinations given for the STOP
IN statement above.
APPROACH
GOTO
PURITY
IN
APPROACH
GOTO
TEMPERATURE
IN
APPROACH
GOTO
The ENDCUT action is used to dump the accumulator into a product. This action will not
be executed until a RUNUNTIL has terminated a DISTILL policy segment , ENDCUT is
allowed only in a sequential policy segment. ENDCUT is aliased to DUMPACCUM.

ENDCUT PROD = prodsid, PHASE = Bulk/L1/L2
PROD Refers to the stream identifier used as a product
ID on the PRODUCT statement.
PHASE Refers to the phase being dumped into the
product ID. If Phase statement is not given, it is
assumed that Bulk liquid is dumped into the
stream. For VLLE condenser, L1 and L2 are
allowed. Since we need 2 streams, 2 EndCut
statements are allowed for each policy in VLLE.
The GOTO statement is used for straightforward transfer to another segment of the
operation policy. This is useful if the policy is divided into alternative blocks. The GOTO
will not be executed before all other activities within a policy segment are complete.
GOTO is allowed only in a sequential policy segment.
GOTO PSEG = pseg
Additional Output Options (optional, multiple statements allowed)

Types of printed output are History, Snapshots at times, and Profiles in time.
PRINT HISTORY = EVENTS or ALL, *
U U
Snapshots: OVERALL(basis)
U U
COLUMN(basis)
U U
TRAYCOMP(basis)
(default is no profile output)
Profiles: LRATE(basis)
VRATE(basis)
TEMPERATURE
FRACTION (L or V, basis) (STAGEspec. required)
MBALANCE (default: no components)
CONTROLLER
(if not specified, default is to print all components on all stages)
Output COMP=coni{,conj/conk/conm/...}, *
B B B B B B B B
Modifiers: STAGE=stgnoi{,stgnoj}/.. . B B B B
(default: at the start and end of all policy segments)
Print time: PSEG(tunit) = pseg{,freq)/... (print only for specified

policy segments)
TIME(tunit) =timei{.timej,freq}/... B B B B

{ FREQ{tunit) = freq} (default 12 min.)
If no PRINT statement is present, the printed output will consist of HISTORY at the
EVENTS level and a series of OVERALL and COLUMN snapshot reports, at the start and
end times of each policy segment.
The PRINT statement specifies additions and changes to these default reports. Both
snapshot and profile reports have default selections of output modifiers and print times.
The set of output modifiers and print times specified on & given PRINT statement applies
to all reports specified on that statement. Different selections of output modifiers and print
times for different reports can be specified through multiple PAINT statements.
HISTORY Governs the level of detail in reporting the
progress of the batch distillation. EVENTS reports
the times for initiating and terminating each action
of the policy, as well as the reasons for stopping
each policy segment. ALL adds in information
concerning the integration process.
The snapshot specifications print out tables for a given time, and repeat this for the series
of times as specified with the Print times options.
OVERALL Produces the Pot, Condenser and Accumulator
Summary, containing temperatures, pressures,
heat duties and fractional compositions for these
three locations, as well as distillate, top vapor and
reflux flows. This summary will include fractional
compositions for all components, regardless of
any COMP specification present.
COMUMN produces a stage summary table, containing
temperature, pressure,
STAGE liquid flowrate, vapor flowrate, and (continuous)
charge and draw rates for each stage in the
column. A column with 40 trays will generate
approximately one page of output for each print
time. The stages included may be modified
through the STAGE specification.
TRAYCOMP produces a table of fractional compositions for
selected stages. The
COMP defaults of all components and all stages may be
modified through
STAGE COMP and STAGE specifications.
Multiple PRINT statements may be used to specify tables for both weight and molar
bases.
Keywords LRATE, VRATE, TEMPERATURE, FRACTION, MBALANCE and
CONTROLLER all produce profiles in time; tables in which the columns correspond to the

variables being reported and the rows correspond to times. The specific times, the number
of rows in each table, may be adjusted with the Print times options.
LRATE LRATE, VRATE and TEMP generate tables of stage liquid rates, stage
vapor rates and stage temperatures, respectively. The basis qualifier
VRATE allows choice of molar, weight or volumetric flow rates. The default, print
TEMPERATURE for all stages, may be modified with STAGE.
STAGE
FRACTION Produces tables of liquid or vapor composition fractions. Because of the

large amount of data that would result from printing fractions for all
STAGE components and all stages, the default number of stages for FRACTION
COMP is zero. The STAGE keyword is required to specify for which stages to
print. The COMP keyword may be used to modify the default of all
components to specific components or component ranges.
MBALANCE Produces a mass balance table, in mass units. The columns of the table
give the cumulative sums of all charges and products as well as the
COMP holdups in the pot, trays and reflux splitter, and the contents of the
accumulator, The relative error is reported as the last entry.
If there is no COMP specification on the same PRINT statement with

MBALANCE, only the overall mass balance is reported. If COMP is
present, individual component mass balances for the specified
components are reported as well.
CONTROLLER Prints a simple table of manipulated (VARY) and controlled (SPEC)

variables. For the simple single input, single output feedback controller the
table contains only two variables. There will be a table for each controller
defined in the operation policy, spanning the pertinent period of operation.
Keywords COMP and STAGE supply the selection of compo"ents and stages for
reporting, overriding the default selections.
COMP If specified, report for only the specified
components which are cnoi through cnoj, inclusive,
B B B B
cnok through cnom, inclusive, etc. COMP does not

B B B B
affect the component printout for OVERALL

snapshot reports.

STAGE If specified report for only the specified stages,
which are stgnoi through stgnoj inclusive, etc.
B B B B
For overriding the default selection of output times:

PSEG Instead of the default selection of printouts at
the start and end of all policy segments as
they are executed, report only at the start and
end at the policy segments indicated (with
pseg). If frequency ‘freq’ is given (in the
indicated time units), report repeatedly at that
frequency during the given segment. The
FREQ keyword has no effect on PSEG.
TIME In addition to the default selection of output
times, or the selection overridden by PSEG,
Intersperse times from the list given. These
may be single times timet, if timej is not
given. If time) is given print during the interval
timei to timej at the specified frequency. If the
B B B B
frequency is not given by 'freq' with the TIME

keyword, it will be taken from the FREQ
keyword or its default,
FREQ If FREO is specified by the user (not
defaulted) and the TIME keyword is not
present, report at the specified frequency
throughout the simulation. If TIME is present,
FREQ supplies a general default frequency
(12 min., or user-specified) as described
above under TIME.
INTEGRARTION SIT, * (semi-implicit trapezoidal method)
U U
{STEPSIZE(unit)=value, *(default 0.05h)

MSTEPSIZE(unit) =value, *(default0.1h)
TOLERANCE =0.1}
(TOLERANCE as a percent)
This statement is optional and is used to specify the type of integration method to be used
in calculations. If not specified, the SIT, or semi-implicit trapezoidal method, is used, This
method is applicable to most batch distillation problems. The SIT method is quick and
generally robust.
The system of ordinary differential equations describing batch distillation is inherently stiff
because the time constant of the still pot is much greater than that of the column trays.
Both of the methods offered are appropriate for stiff systems.

SIT The Semi-implicit trapezoidal method is an efficient variable step size procedure.
STEPSIZE
MSTEPSIZE STEPSIZE is the size of the initial or starting timestep. Systems with holdups
that are small relative to the initial batch charge will need smaller starting step
TOLERANCE sizes. Also, highly non-ideal systems may require a smaller initial step size.
MSTEPSIZE is the maximum allowable timestep that should be used during

integration. The same criteria apply as with the starting step size.
TOLERANCE defines the error tolerance for each integration step as a percentage for
both methods.
Liquid Density Calculation (optional)
DENSCALC RIGOROUS
U
or SHORTCUT, {TREF(unit) = value} (default TREF is 25°C)

DENSCALC specifies a simplification in liquid density calculations. If
DENSCALC is not used, the density calculations will be rigorous.
RIGOROUS Rigorous density calculations as specified for the

thermodynamic set in effect.
SHORTCUT Simplified density calculations will be performed,
using the TREF supplied or the default 25°C.
TREF In calculating the liquid density, mixture volumes
will be calculated as the sum of pure-component
volumes at reference temperature TREF. If neither
RIGOROUS nor SHORTCUT is specified,
SHORTCUT will be assumed.

The thermodynamic method set may be redefined for each stage.
setid The METHODS set may be defined in the
THERMODYNAMIC DATA category
stgno The last stage for which this set is valid.
The description is otherwise as in COLUMN INPUT.

Batch Cycle Time Definition (optional, may be required if in flowsheet and a
feed is output from another unit)
CYCLE TIME(unit) = value, *
Defining the batch cycle time is an optional function unless the batch distillation is part of a
flowsheet with multiple units, and is fed with an output stream from another unit. In that
case the feed flowrate must be reconciled with the use of that feed' in charges during the
batch cycle, and for this, the batch cycle time must be known.
TIME TIME defines the batch cycle time.
Snapshot specification
SNAPSHOT PSEG = policyid, TYPE = AVER/END
PLOTDATA STARTTIME(units)=time, ENDTIME(units)=time

FREQUENCY(units)=time
SNAPSHOT This card is required to store the average data or
at the end for printing out the T, P Vapor / Liquid
Flowrates or Transport properties of individual
trays for a particular policy and plotting through
GUI after the run is completed.
PSEG The policyid for which results are required.
TYPE if AVERAGE is chosen, the data is averaged out
for the requested policy and snapshots can be
viewed through GUI, from OUTPUT-> GENERATE
PLOT option.
If END is chosen, all the data is printed out end
the end of the requested policy.
PLOTDATA This card when specified, stores the data between
the requested time for T, P, Rates, Composition
and transport property data for viewing and
plotting through GUI after the run is completed.
STARTTIME The Start time since when the data needs to be
stored. START time should be lesser than
MAXTIME for General STOP criterion.
ENDTIME The end time till when the data needs to be stored.
END time should be lesser than than START time
and lesser than or equal to MAXTIME for General
STOP criterion.
FREQUENCY The time frequency when the data needs to be
stored. FREQ cannot be greater than the END
time or the difference between Start and END
times.

®
19.4 – BATCHFRAC
U UP UP
ALGORITHM
Keyword Summary
Unit Identification ( Required)
BATFRAC UID=uid, {NAME = text}
Column Parameters ( Required)

PARAMETER TRAYS = i (Aliases COLTRAY - value 0 or greater)
or
STAGES = i (value can be 2 or greater)
MAXTIME (unit) = value (default is 10 hours)
CYCLETIME (unit) = value (default is 1 hour)
1. The use of the keyword TRAYS/COLTRAYS indicates the number of actual trays
present in the column. Hence the number of theoretical stages used in
calculation would be “i+2”. The keyword STAGES refers to the number of
theoretical stages.
2. The Maximum Policy Run Time (MAXTIME) has a default value of 10.0 hours.
3. Batch Cycle Time (CYCLETIME) has a default value of 1.0 hours. The flow rates
of all the Dump streams would be calculated using this Batch Cycle Time.
Column Policy Parameters (optional)

POLPARAM MCG= i, (No. of Charge cards)
MDRW=i, (No. of Draw cards),
MTGRUNU=i, (No. of Run Until cards),
MDSTS=i, (No. of Distil cards),
MCTCNO=i, (No. of Control cards),
MREC=i, (No. of Recycle cards),
MDUM=i, (No. of Dump cards)

During import, the maximum number of each of the cards (Charge, Draw, Distill,
etc.) that can be specified in a BATCHFRAC® unit is 20 by default. If the user would like to
P P
®
import a BATCHFRAC unit with more than 20 cards of any of the above cards then it is
P P
necessary to use the POLPARAM card to increase the limit. Suppose there is a problem
in which there are 23 dump cards. The corresponding input file should have the following
card:
POLPARAM MDUM=23
Feeds (required )
FEED sid, sid…
Products ( Optional)
PRODUCT ACCUM = prodsid, accumname {/prodsid, accumname /…,}
COLCONTENTS / HEEL = prodsid,
{OVHD = prodsid,}
{DUMP = prodsid / prodsid …}
1. The ‘PRODUCT’ is optional. If the PRODUCT card is not specified, then

default streams are attached for the main accumulator and the column contents.
2. The first pair of arguments for the ACCUM keyword refer to the main
accumulator attached to the first stage.
Thermodynamic Set Selection (Optional)

METHOD SET = setid {, stgno/...}
1. For a three phase (VLLE) problem it is necessary to specify VLLE thermo on the
condenser.
2. For a VLE problem it is necessary that all the stages are specified a VLE thermo
only. VLLE problems can have VLE thermo assigned to stages without
decanters.
3. While specifying thermodynamic methods stage wise, the un-specified stages
are assigned the first available VLE or VLLE thermodynamic method based on
the BATCHFRAC® unit.P P
®
Chapter 19.4 BATCHFRAC ALGORITHM 885
Pressure (required)
PRESSURE (unit) stgno, value/….
Pressure needs to be specified for the first and last stage.

or
PSPEC PCON (unit) =value, {PTOP (unit) = value,}
DPSTAGE (unit) = 0.0 or DPCOL (unit) = value or
PPOT (unit) = value
Pressures are linearly interpolated between specified stages.
Calculation Method Selection

INTEGRATION
STEPSIZE = value, (default 1.0sec – The step size is always in seconds)
MAXSTEP = value, (default 1.0e+6sec – The step size is always in seconds)
For stiff problems a value of 1800 sec or lesser would help coverge many of the
problems. It may degrade the performance of the simulator, i.e. it would take
more time to solve.
MAXTRF = value, (Max no. of total reflux iterations default = 100)
TOLTRF = value, (Total reflux algorithm tolerance default = 1e-4)
TOLERANCE = value, (Integration Tolerance default = 1e-4)
MBROY = value, (Maximum number of variables converged by the Broyden
method in the outside loop default = 200)
MAXIL = value, (Maximum number of inside loop iterations, default = 25)
MAXOL = value, (Maximum number of outside loop iterations, default = 100)
TOLIL = value, (inside loop tolerance, default = 1e-6)
(Note: The inside loop tolerance can not be specified greater than 1e-6. Else it
will reset to 1.0e-6 during runtime with a message saying so).
TOLOL = value, (outside loop tolerance, default = 1e-5)

NSMAX = value, (Maximum number of integration steps per
operation step default = 2000)
DRYCHECK = ON/OFF U U (Check for dry stages default = ON)
The inside loop tolerance can not be specified greater than 1e-6 or else it will
reset to 1.0e-6 during runtime with a relevant message .
Initial Esimates ( Optional)

TEMPERATURE
T T stgno, value/…………..
CESTIMATE(L)
T T stgno, x1, x2, …. / ………….
CESTIMATE(V)
T T stgno, y1, y2, …./ ………….
If estimates are provided, it is mandatory to provide estimates for the first stage.
Condenser Type and Specification ( Optional)

CONDENSER TYPE =BUBB or MIXED or PART or TFIX,
U U
TEMP (unit) = value, (for TFIX condenser only)

or
TEMP (unit) = value, (for MIXED condenser)
or
VFRA (basis) = value (for MIXED condenser)
(Basis= M, Wt)
1. When the global condenser is of Partial or Mixed type, for the first Total Reflux
policy (or the Total Reflux part of a first BOTH type of policy), the condenser is
treated as a Bubble point condenser as the calc internally sets the total distillate
flowrate to zero.
2. For VLLE problems the allowed CONDENSER types are BUBB & MIXED only.
3. For VLLE problems, the allowed basis for Vapor Fraction (with MIXED type
condenser) is mole only.
®
HOLDUP (basis, unit) stgno, value/….
HCOND (basis, unit) =value (M, Wt, LV basis)
U U
(Alias LHOLD)
1. Specifying holdup of first stage (condenser), second stage (first tray) and the
penultimate stage (tray above the stillpot) is mandatory.
2. Holdup is not linearly interpolated. For the stages where holdup is not specified,
the holdup of the preceding specified stage is used. For example, the holdup of
stage 2 is used for the succeeding stages until specified again. If holdup of stage
7 is specified, then holdup of stage 7 and the ones below it have the same
holdup until specified again.
or
HLDSPEC HCOND (basis, unit) =value,
HTRAY (basis, unit) =value
Accumulator Holdup Specification (optional)

ACCUMMAIN TYPE = STANDARD / DIFFERENTIAL
U U
HOLDUP (basis) = value

(Basis = M / WT / LV)
U U
1. This specification is applicable for the main accumulator only.

2. HOLDUP should be specified only when the accumulator is of DIFFERENTIAL
type.
3. A STANDARD type accumulator has no limitation on its capacity or holdup
4. The DIFFERENTIAL accumulator can not be filled beyond the specified holdup.
The behavior of the Differential Accumulator in relation to the Rununtil criterion
specified in a policy is as follows:
a) Rununtil criterion is specified in terms of purity evaluated as Main Accumulator
contents – the policy is run until the main accumulator holdup is equal to that
specified differential accumulator holdup – at this point if the run-until criterion is
met or crossed the simulation is said to have converged else the simulation will
terminate.

b) For any other Rununtil criteria – the simulation is solved if the main accumulator
holdup does not exceed the specified differential accumulator holdup when the
rununtil criterion is met. Else the simulation will terminate.
Heaters/Coolers (optional)
DUTY (unit) stgno, value/ …..
1. The range for stage numbers is: 2 to N-1.

2. Heaters & Coolers are not applicable to TOTAL REFLUX policy.
Decanters (optional)
DECANTER stgno, accumname / …..
1. Applicable only for 3 phase (VLLE) problems.

2. It is necessary to define Decanter on Stage 1, i.e., the condenser.
3. All Decanter stages should have VLLE thermo defined.
4. The specified decanter location (stage number) would be used in all the policies.

PRINT HISTORY = NONE / PART / ALL U U
PRINT BASIS = M/WT/V U U
Snapshots Reports:
OVERALL
U U
STAGESUM (alias COLUMN)

U U
TRAYCOMP
ACSUMMARY
ACCOMPOSITION
Time Profile Reports:
TEMPERATURE
LRATE
VRATE
LFRAC
®
VFRAC
Modifiers:
COMP = cno i {cno j /cno k /cno m /...}
B B B B B B B B
STAGE = stgnoi {,stgnoj} /...

B
B
B
B
PSEG = pseg{,freq}/...
FREQ (tunit) = freq (default: 15 minutes)
TIME (tunit) = timeI {,timej, freq}/... B B B B
1. Multiple PRINT cards are allowed.

2. By default only OVERALL & STAGE SUMMARY snapshots at the beginning and
end of policy are printed for all policies.
3. When specified tray loadings, tray temperatures and tray compositions are
printed for all components and all stages by default.
4. Default times for Time Profile Reports are the beginning and end of each policy.
5. By default, the Decant summary is provided for VLLE problems and it can not be
turned off.
6. By default, the Reaction summary (reaction rates and heats of reaction) is
provided for Reactive Batch Distillation problems and it can not be turned off.
Operation Policy Specifications

POLICYSEG
PSEG ID = pseg, TYPE = STANDARD / TOTREFLUX / BOTH
U U
The first policy should not be of STANDARD type.
Thermodynamic Set Selection (optional for policies)

1. Not allowed for first policy.

2. For VLLE problems, condenser and stages connected to Decanters should be
assigned to a VLLE thermo method.
decanters.
are assigned the first available VLE or VLLE thermodynamic method based on

the BATCHFRAC® unit.P P

PRESSURE (unit) stgno, value/...
DLTIME = value
(Delay Time specified in seconds – default is 1.5 sec, range is >1.5 sec)
DPTIME = value
(Ramp Time specified in seconds – default is 100 sec, range is >5 sec)
or
PSPEC
PCON(unit) = value, {PTOP(unit) =value,}
DPSTAGE (unit) = 0.0 or DPCOL (unit) =value or

U U
PPOT (unit) = value
DLTIME = value
(Delay Time specified in seconds – default is 1.5 sec, range is >1.5 sec)
DPTIME = value
(Ramp Time specified in seconds – default is 100 sec, range is >5 sec)
Note: Policy pressure specification is not allowed for first policy.
Stage Liquid Holdup Specification (optional for policies)

(Alias LHOLD)
or
HLDSPECHCOND (basis, unit) =value,
1. Holdup specification is not allowed for standard type of policy.

2. Not allowed for the first policy.
®
Condenser Type Specification (optional for policies)
U U
TEMP (unit) = value (for TFIX cond

or
(basis = mass/mole)

2. When the policy condenser is specified as Partial or Mixed type for a Total Reflux
policy, the condenser is treated as a Bubble point condenser as the calc
internally sets the total distillate flowrate to zero.
3. If in policy “k” (of Standard type) the condenser is of Partial or Mixed type, then
for policy “k+1” which of Total Reflux type, the condenser is treated as a Bubble
point condenser. For policy “k+2” which is of Standard type, the condenser would
be treated as defined in policy “k”.
Heaters / Coolers (optional for policies)

DUTY stgno, value/ …..(Stgno range: 2 to N-1)
NODUTY

2. The NODUTY card is to turn off all Heaters / Coolers for the current &
subsequent policies until specified again using the DUTY card.
3. These two cards are mutually exclusive.
4. Heaters & Coolers are not applicable to TOTAL REFLUX kind of policies.

Reactions (optional)
RXTRAY ID=reactionid, TRAY=stage1, {stage2}/…
NORXTRAY

2. The NORXTRAY card is to turn off all reactions for the current & subsequent
polices until specified again using the RXTRAY card
4. Reactions are not applicable to the TOTAL REFLUX kind of policies.
5. Only one reaction set is allowed per stage. Reactions are allowed on all stages
including condenser & reboiler.
6. Multiple RXTRAY cards need to be used to specify different reaction sets for
different stage(s) in the BATCHFRAC® column.
P P
Charge
CHARGE FEED = sid, CHGID = chgid
DTIME = value
AMOUNT (basis, unit) = value
RATE (basis, unit) = value
STILLPOT (alias POT)
or
STAGE = stgno, SEPARATE/NOTSEPARATE
U U
1. For the first policy, it is compulsory to have an instantaneous feed or feed

specified as “rate over a time period”.
2. Continuous feeds are not allowed for TOTAL REFLUX kind of policies.
3. A feed stream can be used only two times in a policy – once for specifying an
instantaneous feed and once for specifying a continuous feed.
4. The keywords SEPARATE & NOTSEPARATE keywords can be used only with
continuous feeds.
®
Distill Specifications
DISTILL
1) Total Reflux Specification (valid for TOTAL REFLUX & BOTH kind of
policies):
TRFBOILUP (basis, rate) = value, (M, WT, GV basis)
U U
2) Distillate Specifications (valid for STANDARD & BOTH type of policies):

BOILUPRATE (basis, rate) = value, (M, WT, GV basis)
U U
or
QREB (unit) = value
or
RRATIO / LRRATIO = value (not applicable for VLLE case)
or
DISTRATE / LRATE (basis, unit) = value, (M, Wt, LV basis)
or
QCOND (unit) = value
or
RERATE (basis, unit) = values (applicable for VLLE case only)
1. For the Distill spec of the first policy the “Total Reflux” specification is defaulted to
10% of still pot contents per hour.
2. Only one DISTILL card is allowed per policy.
3. For any TOTAL REFLUX type of policy, only Total Reflux Boilup rate is
necessary.
4. For STANDARD type policy, only Distillate Specifications are necessary.
5. For BOTH type of policy, both types of specifications necessary.
6. For VLE problems two Distillate Specifications are necessary whereas for VLLE
problems only one Distillate Specification is necessary.
7. The following table details the valid pairs of Distillate Specifications for VLE
cases:

TABLE 19.4-1
VALID PAIRS OF DISTILLATE SPECIFICATIONS FOR VLE CASES
D RR BR QC QR
D X X X X
RR X X X X
BR X X
QC X X
QR X X
a) Distillate Rate (D)

b) Reflux Ratio (RR)
c) Condenser Duty (QC)
d) Reboiler Duty (QR)
e) Boilup Rate (BR)
RunUntil Criterion
RUNUNTIL TlME (unit) = value
or
or
PURITY (fraction/percent/ppm/ppb, basis) = cnoi, {cnoj,} value,
U U B
B
B
B
or
TEMPERATURE (unit) = value,
Evaluated at
ACCUMNAME=accumname,
or
POT
or
STAGE = stgno,
With
APPROACH = ABOVE, or BELOW (Required field)
®
1. Only one RUNUNTIL specification allowed for per policy.
2. Rununtil criterion AMOUNT can be specified for any accumulator or still pot.
APPROACH can not be specified with AMOUNT run until criterion.
3. Rununtil criterion TEMPERATURE can be specified on a stage or still pot. The
APPROACH needs to be defined.
4. Rununtil criterion PURITY can be specified for accumulator, still pot or stage. The
Draw
DRAW STAGE=stgno, PHASE =L / V, ACCUM=accumname,
U U
RATE (basis, unit) = value,
1. From any stage only 2 draws, one for each phase is allowed.
2. Draw from the first stage (condenser) is not allowed.
3. For VLLE type of problems, DRAW cards are not allowed on any stage.
Spec
SPEC TEMPERATURE (unit)
or
PURITY (fraction/percent/ppm/ppb, basis)
U U
VALUE = value
STAGE = stgno
COMP = cnoi, {cnoj,}
B
B
B
B
Vary
VARY RRATIO, MINI = value, MAXI = value,
or
DISTRATE (unit), MINI = value, MAXI = value,
or
QCOND (unit), MINI = value, MAXI = value,
or
QREB (unit), MINI = value, MAXI = value,
or

BOILUP (unit), MINI = value, MAXI = value,
{CONTRGAIN = value (Default = 1.0)}
INTEGRALTIME = value (Default = 1.0e+6)
DERIVTIME = value (Default = 0.0)
MANVARLAG = value (Default = 0.0)
MEASURELAG = value (Default = 0.0)}
1. A spec card should be always associated with a vary card.

2. Only one pair of Spec-Vary can be given.
3. The purpose of the controller is to keep either a tray temperature or a stage
composition at some setpoint value while the batch distillation column is running.
The controller must be making changes continually because the process
conditions are always changing when products are being withdrawn from the
column. The controller does not override the rununtil spec by exiting the moment
the controller spec is met. The controller continues to execute while the dynamic
simulation progresses.
4. The controller manipulated variable should be one of the distill specifications.
5. The manipulated variables distillate rate & boilup rate can be specified in molar
units only.
6. Controller is not allowed with VLLE problems.
Decant
DECANT STAGE=stgno, LHLDP (basis) = value, (Basis = M or WT or
U U
LV)
L1RFRAC=value L2RFRAC=value
DTBB (unit) = value (default value = 0.0)
or
TEMP (unit) = value
{L1RSTG=stgno, L2RSTG=stgno
PRES (unit) = value}
®
1. Return stages for liquid 1 & liquid 2(L1RSTG & L2RSTG) are defaulted to the
next stage.
2. The decanter temperature is defaulted to zero degrees sub-cooling, i.e. DTBB =
0.0.
3. If decanter PRES is not specified then the decant stage pressure is used.
4. Return fractions (L1RFRAC & L2RFRAC) are in mole basis.
Dump
DUMP PROD = prodsid, ACCUM = accumname,
1. Dumps are not allowed in the FIRST policy.

2. The contents of an accumulator can be dumped in the subsequent policies only.
3. Unused accumulators (accumulators not assigned by any DRAW statement) can
not be dumped.
4. A dump stream can be used only once in the simulation.
Recycle
RECYCLE accumname, accumfrac, ppsegid/ ……
1. This card is used to recycle material from an Accumulator to the reboiler. The
Accumulator must have been dumped in a prior policy.
2. The argument “ppsegid” is the id of the policy segment in which the accumulator
has been dumped.

General Information
Summary
BATCHFRAC® is the unit operation framework for batch distillation as a rigorous model for
P P
simulating multistage batch distillation columns.

BATCHFRAC® utilises a robust and efficient algorithm to solve the unsteady-state heat
P P
and material balance equations that accounts for the behavior of batch distillation
processes. Rigorous heat balances, material balances, and phase equilibrium
relationships are applied at each stage.
BATCHFRAC® can handle a wide variety of batch distillation problems, including these
P P
systems:
• Narrow-boiling
• Wide-boiling
• Highly non-ideal
• Three-phase
• Reactive
®
BATCHFRAC can observe the presence of a free-water phase in the condenser, or of
P P
®
any second liquid phase anywhere in the column.BATCHFRAC has complete flexibility in
P P
addressing interstage decanters.

BATCHFRAC® can be used to simulate batch distillation columns with equilibrium-
P P P P
controlled reactions or rate-controlled reactions. These reactions can occur on any stage,
including the reboiler and condenser.
®
BATCHFRAC assumes the following conditions:
P P
• Equilibrium stages are used. (However, you can specify vaporization

efficiencies.)
• There is constant liquid holdup and no vapor holdup.
• Column hydraulics are not modeled.
BATCHFRAC® can also handle the presence of:
P P
• A free-water phase in the condenser

• Two liquid phases anywhere in the column
• Equilibrium or rate-controlled chemical reactions on any stage, including the
reboiler and condenser
BATCHFRAC® does not model column hydraulics.

P P
®
Specifying BATCHFRAC® P P
®
BATCHFRAC numbers stages from the top down, commencing with the condenser. The
P P
distillation operation is exemplified by a series of sequential operation steps.

®
BATCHFRAC performs a total reflux calculation at the beginning of the first operation
P P
step.
®
BATCHFRAC has two types of data specifications:
P P
• Column setup
• Column operation
Conventions
Stage numbers
Stages are numbered from the top down. In the column itself, a stage corresponds to an
ideal (theoretical) tray. The condenser and the reflux splitter constitutes the first stage
(stgno = 1) and the stillpot as the last.
Input Description
BATFRAC UID=uid, {NAME = text}
The UID and NAME keywords are common to all unit operation headers and are
documented in Section 42.

PARAMETER TRAYS = i (Aliases COLTRAYS - value 0 or greater)
or
STAGES = i (value can be 2 or greater)
MAXTIME (unit) = 10.0
U U
CYCLETIME (unit) = 1.0

U U
The PARAMETER statement sets the number of trays in the column or the total number
Of stages, and the time interval for updating the energy balance during active policy
segments.
COLTRAY This entry or STAGE is required. COLTRAY specifies

the number of trays in the column only excluding the
condenser and the stillpot. Anywhere from zero to 97
trays are allowed. The total number of stages is

calculated by adding two to the COLTRAY
specification. COLTRAY is aliased to TRAY. The use
of the keyword TRAYS/COLTRAYS indicates the
number of actual trays present in the column. Hence
the number of theoretical stages used in calculation
would be “i+2”.
STAGE This entry or COLTRAY is required. The keyword
STAGES refers to the number of theoretical stages,
including condenser and reboiler. Anywhere from two
to 99 stages are allowed.
MAXTIME The maximum simulation time allowed for a policy. On
reaching this time the integration for the policy will
terminate normally, regardless of the state of run-until
criterion of the policy segment. Only one MAXTIME
specification is allowed. The Maximum Policy Run
Time (MAXTIME) has a default value of 10.0 hours.
CYCLETIME The cycle time specification is used to calculate the
flow rates of the product streams of the
BATCHFRAC® unit. The final contents of all the
P P
streams are divided by the cycle time to obtain a flow

rate. Batch Cycle Time (CYCLETIME) has a default
value of 1.0 hours. The flow rates of all the Dump
streams would be calculated using this Batch Cycle
Time.
Column Policy Parameters (optional)

POLPARAM MCG= i, (No. of Charge cards)
MDRW=i, (No. of Draw cards),
MTGRUNU=i, (No. of Run Until cards),
MDSTS=i, (No. of Distil cards),
MCTCNO=i, (No. of Control cards),
MREC=i, (No. of Recycle cards),
MDUM=i, (No. of Dump cards)
During import, the maximum number of each of the cards (Charge, Draw, Distill, etc.)
that can be specified in a BATCHFRAC® unit is 20 by default. If the user would like to
P P
import a BATCHFRAC® unit with more than 20 cards of any of the above cards then it
P P
is necessary to use the POLPARAM card to increase the limit. Suppose there is a
problem in which there are 23 dump cards. The corresponding input file should have
the following card:
POLPARAM MDUM=23
®
Feeds (required)
FEED sid, sid, ...
®
The feeds are input streams to the BATCHFRAC unit operation which serve as sources
P P
from which the actual charges, defined in the Operation Policy, will be taken. An unlimited
number of feeds are allowed.
®
The composition of all charges to the BATCHFRAC unit are determined from the
P P
specified stream composition. The thermal state of all the instantaneous charges (even if
®
specified as ‘rate over a time period’) to the BATCHFRAC unit are set to the bubble
P P
point condition at the still pot pressure. However for continuous charges the specified
stream thermal conditions are utilized.
sid Stream identifier as supplied on the PROPERTY statement or

as a product from any PRO/II unit operation.
Products (optional)
PRODUCT ACCUM = prodsid, accumname {/prodsid, accumname /…,}
COLCONTENTS / HEEL = prodsid,
{OVHD = prodsid,}
{DUMP = prodsid/prodsid/ …}
The PRODUCT statement identifies all of the real products from the batch process. Any
product referred to in the operation policy must be declared with the PRODUCT
statement.
The ‘PRODUCT’ is optional. If the PRODUCT card is not specified, then default streams
for the main accumulator and the column contents / heel are attached. The HEEL stream,
at the end of the simulation, would contain the holdups from the condenser & column trays
and the un-distilled contents of the still pot. At the end of the simulation the MAIN
ACCUMULATOR stream would contain the final contents of the main accumulator,
provided it is not dumped before the simulation is completed.
prodsid Stream identifiers are defined on the PRODUCT
statement. The user is free to specify from one to
twelve alphanumeric characters as a product ID.
OVHD If a MIXED condenser is specified, the vapor
overhead from the condenser will be collected in this
product during active policy segments.
HEEL At the end of the simulation, the heel in the pot and
column tray holdups will be combined into this
product.

ACCUMULATOR At the end of the simulation, the contents of the
accumulator and the reflux splitter will be combined
into this product.
DUMP During simulation, if the contents of any accumulator
needs to be emptied (dumped) so that the
accumulator can be reused to collect different fraction
of the distillation. This is done by emptying the
stream into the pre-defined dump stream. The stream
names given under this keyword only can be used for
dumping of the products. Once a stream is used, it
cannot be reused. The stream flowrate is calculated
by using batch cycle time defined elsewhere. All
products should be separated by slash if more than
one dump stream is defined.

The thermodynamic method set may be redefined for each stage.
setid The METHODS set may be defined in the

THERMODYNAMIC DATA category
stgno The last stage for which this set is valid.
The description is otherwise as in COLUMN INPUT.
1. For a three phase (VLLE) problem it is necessary to specify VLLE thermo on the
condenser and stages connected to Decanters.
decanters.
are assigned the Pro/II default thermodynamic method.
®
or
PSPEC PCON(unit) = value, {PTOP(unit) =value,} *
DPSTAGE(unit) = value
statement. Stage pressures may not be varied by the batch distillation algorithm, but may
be changed external to the unit by CONTROLLERS, MVCs and OPTIMIZER unit
operations, and CASESTUDIES and INTERACTIVE features.
PRESSURE The pressure is specified for each individual stage.

Pressures must be given for me top and bottom
stages (condenser and stillpot). Optionally, pressures
may be given for any intermediate stage. The
pressure for any stage not defined is determined by
linear interpolation from data given for the nearest
stages above and below.
PSPEC Condenser pressure, column top pressure (optional),
and pressure drop or bottom pressure are specified.
The pressure profile varies linearly with respect to
stage number over the stillpot and column, and also
over the condenser if PTOP is not given.
This drop includes the condenser if PTOP is not
given.
DPSTAGE The pressure drop per stage. This applies between
the stillpot and condenser unless PTOP is given, in
which case it extends only to the column top stage
aliased to DPTRAY and DP.
1. Pressure needs to be specified for the first and last stage.

2. Pressures are linearly interpolated between specified stages.

INTEGERATION
STEPSIZE = value, (default 1.0sec – The step size is always in seconds)
MAXSTEP = value, (default 1.0e+6sec – The step size is always in seconds)
(Note: For stiff problems a value of 1800 sec or lesser would help coverge many
of the problems. It may degrade the performance of the simulator, i.e. it would
take more time to solve.)
MAXTRF = value, (Max no. of total reflux iterations default = 100)
TOLTRF = value, (Total reflux algorithm tolerance default = 1e-4)
TOLERANCE = value, (Integration Tolerance default = 1e-4)
MBROY = value, (Maximum number of variables converged by the Broyden
method in the outside loop default = 200)
MAXIL = value, (Maximum number of inside loop iterations, default = 25)
MAXOL = value, (Maximum number of outside loop iterations, default = 100)
TOLIL = value, (inside loop tolerance, default = 1e-6)
(Note: The inside loop tolerance can not be specified greater than 1e-6. Else it
will reset to 1.0e-6 during runtime with a message saying so).
TOLOL = value, (outside loop tolerance, default = 1e-5)
NSMAX = value, (Max. no. of integration steps per operation step default =
2000)
DRYCHECK = ON/OFFU U (Check for dry stages default = ON)
Estimates (optional)
TEMPERATURE stgno, value/…………..
CESTIMATE(L) stgno, x1, x2, …. / ………….
CESTIMATE(V) stgno, y1, y2, …./ ……
If estimates are provided it is mandatory to provide estimates for the first stage.
ESTIMATES Highly non-ideal systems may require a better starting

point than is possible by conventional initial estimate
generators.
®
TEMPERATURE This statement provides temperature estimates for
individual trays
Stgno The stage number
Value Value of Temperature
CESTIMATE(L) The CEST(L) statement supplies liquid composition
estimates for individual trays (or stages). The purpose
is to provide a closer starting point for algorithms for
highly non-ideal and difficult to solve distillation
problems. Very few problems require this level of
estimation to achieve solution.
CESTIMATE(V) The CEST(V) statement supplies vapor composition
estimates for individual trays (or stages). The purpose
is to provide a closer starting point for algorithms for
highly non-ideal and difficult to solve distillation
problems. Very few problems require this level of
estimation to achieve solution.
x1, y1 The mole fraction of component i on a stage in the
liquid phase (x) or vapor phase(y).
Example: Estimate the vapor and temperature profiles.

TEMP 1, 100 / 2, 140 / 15, 250/ 21, 330
CEST(L) 2, 420 /15, 420 / 16,380 / 21, 450

T T

U U
TEMP (unit) = value (for TFIX condenser only)

or
VFRA (basis) = value (for MIXED condenser only)
(Basis = M, Wt)
U U
A condenser is always present. By default it will yield condensate at its bubble point. At
present the condenser is limited to a single liquid phase.
TYPE Defines the condenser type. BUBBLE type of
condenser is the default condenser where all the
vapor coming from 2nd stage is condensed to liquid at
P P
its bubble point.

The MIXED condenser Is to be operated at specified
vapor fraction (VFRAC). VFRAC keyword is
mandatory if MIXED type of condenser is defined.
The PARTIAL condenser will condense only reflux
portion of the vapor coming from stage 2. The

distillate specified will be taken out as vapor product
from stream defined by OVHD in the products card.
Hence OVHD is mandatory keyword if PARTIAL
condenser is defined.
TFIX or sub-cooled condenser is defined for cooling
liquid further than its bubble point. The distillate and
reflux are sub-cooled in this type of condenser
specification. TEMP keyword is mandatory for TFIX
condenser.
TEMP Defines the condenser temperature for a MIXED or a
TFIX condenser.
VFRACTION Vapor fraction that is required for MIXED type of
condenser. Volume basis for VFRAC is not allowed.

HOLDUP (basis, unit) stgno, value/…
U U
(Alias LHOLD)
or
The amount of liquid contained on the column trays and in the reflux splitter must be
defined on either a HOLDUP or HLDSPEC statement. Usually the most realistic basis for
these definitions will be the volume basis.
HOLDUP The holdup is specified for each individual stage other

than the still pot. Holdups must be given for the top
stage (the reflux splitter stage 1) and for the bottom
stage of the column (stage N-1). Optionally, holdups
may be given for any intermediate stage. The holdup
for any stage not defined is determined by linear
interpolation from data given for the nearest stage
above and below. The HOLDUP card will also accept
HCOND OR L1CH OR L2CH keywords when user
wishes to give separate or phase specific holdups.
HLDSPEC The holdup is specified for the reflux splitter. All
holdups for column trays are given a constant value.
HCOND The holdup in the condenser {actually in the reflux
splitter). Alias is LHOLD.
®
HCOND The holdup in the condenser (actually in the reflux
splitter). It can take any volume units basis such as
Moles, Wt, Liquid Volume.
HTRAY A constant value for the holdup of each column tray.
Holdup is not linearly interpolated like pressure. The holdup of stage 2 is used for
the succeeding stages until specified again. If holdup of stage 7 is specified, then holdup
of stage 7 and the ones below it have the same holdup until specified again.
Accumulator Holdup Specification (optional)

ACCUMMAIN TYPE = STANDARD / DIFFERENTIAL
U U
HOLDUP (basis) = value (for DIFFERENTIAL type only)

(Basis = M / WT / LV)
U U
ACCUMMAIN This specification is applicable for the main

accumulator only.
TYPE A STANDARD type accumulator has no limitation on
its capacity or holdup.
The DIFFERENTIAL accumulator can not be filled
beyond the specified holdup. HOLDUP card is must
for this type of accumulator.
The behavior of the Differential Accumulator in relation to the Rununtil criterion specified in
a policy is as follows:
a) Rununtil criterion is specified in terms of purity
evaluated as Main Accumulator contents – the policy
is run until the main accumulator holdup is equal to
that specified differential accumulator holdup – at this
point if the run-until criterion is met or crossed the
simulation is said to have converged else the
simulation will terminate.
b) For any other Rununtil criteria – the simulation is
solved if the main accumulator holdup does not
exceed the specified differential accumulator holdup
when the rununtil criterion is met. Else the simulation
will terminate.
HOLDUP HOLDUP should be specified only when the
accumulator is of DIFFERENTIAL type. It can take
any volume units basis such as Moles, Wt, Liquid
Volume.

Heater (optional)
DUTY (basis) stgno, value/ ….. (stgno range: 2 to N-1)
(Duty in millions of energy/time units).
Heaters & Coolers are not applicable to TOTAL REFLUX kind of policies.
All heating and cooling duties are defined on the

DUTY statement. An unlimited number of duties may
be defined, and multiple duties may be given on a
single statement.
stgno The tray on which the heater/cooler DUTY exists.
The range for stage numbers is: 2 to N-1.
value The duty in millions of energy per time units. A

negative value is given for cooling duty.
Decanters (optional)
DECANTER stgno, accumname / …..
DECANTER Specify a decanter for VLLE system where the liquid

from a is drawn to the decanter, condensed and
phases (L1/L2) are separated. Part of the L1/L2
phase is recycled back to the column based on the
DECANT specification in the policy. Hence it is
applicable only for 3 phase (VLLE) problems. All
Decanter stages should have VLLE thermo defined. A
decanter has a holdup and hence is similar to another
stage in the column while calculations are in progress.
stgno stage number(s) on which decanters are defined. It is
necessary to define Decanter on Stage 1, i.e., the
condenser. The specified decanter location (stage
number) would be used in all the policies.
accumname the accumulator which should be used to collect the
fraction that is taken out from the decanter.
®
PRINT BASIS = M / WT / V
U U
Snapshots Reports:
OVERALL
U U
U STAGESUM (alias COLUMN)

U
TRAYCOMP
ACSUMMARY
ACCOMPOSITION
Time Profile Reports:

LRATE
VRATE
TEMPERATURE
FRACTION (L or V)
Modifiers:
COMP = cnoBiB{cnoBjB/cnoBkB/cnoBmB/...}
STAGE = stgnoi {,stgnoj} /...
B
B
B
B
PSEG = pseg{,freq}/...
TIME (tunit) = timeBIB {,timeBjB, freq}/...
FREQ (tunit) = freq (default: 15 minutes)
The snapshot specifications print out tables for a given time, and repeat this for the series
of times as specified with the Print times options. By default only OVERALL & STAGE
SUMMARY snapshots at the beginning and end of policy are printed for all policies.
OVERALL Produces the Pot, Condenser and Accumulator
Summary, containing temperatures, pressures, heat
duties and fractional compositions for these three
locations, as well as distillate, top vapor and reflux
flows. This summary will include fractional
compositions for all components, regardless of any
COMP specification present.
STAGESUM Produces a stage summary table, containing
temperature, pressure, liquid flowrate, vapor flowrate,
and (continuous) charge and draw rates for all stages
in the column.

TRAYCOMP Produces a table of fractional compositions for
selected stages and selected components.
COMP The defaults of all components and all stages may
be modified through
STAGE COMP and STAGE specifications.
Multiple PRINT statements may be used to specify tables for both weight and molar
bases.
Keywords LRATE, VRATE, TEMPERATURE, FRACTION, MBALANCE and
CONTROLLER all produce profiles in time; tables in which the columns correspond to the
variables being reported and the rows correspond to times. The specific times, the number
of rows in each table, may be adjusted with the Print times options.
LRATE LRATE, VRATE and TEMP generate tables of stage liquid rates, stage
vapor rates and stage temperatures, respectively. The basis qualifier
VRATE allows choice of molar, weight or volumetric flow rates. The default, print
TEMPERATURE for all stages, may be modified with STAGE.
STAGE
FRACTION Produces tables of liquid or vapor composition fractions. Because of the

large amount of data that would result from printing fractions for all
STAGE components and all stages, the default number of stages for FRACTION
COMP is zero. The STAGE keyword is required to specify for which stages to
print. The COMP keyword may be used to modify the default of all
components to specific components or component ranges.
MBALANCE Produces a mass balance table, in mass units. The columns of the table
give the cumulative sums of all charges and products as well as the
COMP holdups in the pot, trays and reflux splitter, and the contents of the
accumulator, The relative error is reported as the last entry.
If there is no COMP specification on the same PRINT statement with
MBALANCE, only the overall mass balance is reported. If COMP is
present, individual component mass balances for the specified
components are reported as well.
CONTROLLER Prints a simple table of manipulated (VARY) and controlled (SPEC)

variables. For the simple single input, single output feedback controller the
table contains only two variables. There will be a table for each controller
defined in the operation policy, spanning the pertinent period of operation.
Keywords COMP and STAGE supply the selection of compo"ents and stages for
reporting, overriding the default selections.
®
COMP If specified, report for only the specified components
which are cnoi through cnoj, inclusive, cnok through
B B B B B B
cnom, inclusive, etc. COMP does not affect the

B B
component printout for OVERALL snapshot reports.

STAGE If specified report for only the specified stages,
which are stgnoi through stgnoj inclusive, etc.
B B B B
For overriding the default selection of output times:

PSEG Instead of the default selection of printouts at the start
and end of all policy segments as they are executed,
report only at the start and end at the policy segments
indicated (with pseg). If frequency ‘freq’ is given (in
the indicated time units), report repeatedly at that
frequency during the given segment. The FREQ
keyword has no effect on PSEG.
TIME In addition to the default selection of output times, or
the selection overridden by PSEG, Intersperse times
from the list given. These may be single times timet, if
timej is not given. If time) is given print during the
interval timei to timej at the specified frequency. If the
B B B B
frequency is not given by 'freq' with the TIME

keyword, it will be taken from the FREQ keyword or
its default,
FREQ If FREO is specified by the user (not defaulted) and
the TIME keyword is not present, report at the
specified frequency throughout the simulation. If TIME
is present, FREQ supplies a general default
frequency (12 min., or user-specified) as described
above under TIME.
Operation Policy Specifications
POLICYSEG (required, multiple POLICYSEG statement sets allowed)

PSEG ID = pseg, TYPE = STANDARD / TOTREFLUX /BOTH
U U
The operation policy comprises one or more policy segments, each of which is entered
with a POLICYSEG statement followed by one or more statements from the subgroup
START, CHARGE, DRAW, DISTILL, SPEC, VARY, RUNUNTIL, ENDCUT or GOTO. The
policy segments will be initiated in sequential order of entry of the policy segments in the
input file, or according to criteria given on the START statement, except for jumps as
specified with GOTO. GOTO may be an independent action or may be specified in
connection with a given RUNUNTIL or STOP criterion. Several policy segments may be
simultaneously in play.
An unlimited number of policy segments is allowed. Each policy segment requires a

unique identifier. A segment may be prevented from or allowed to execute mote than once

in case of a return to the potential start conditions.
ID A unique identifier for the policy segment, of one

to twelve alphanumeric characters,
The first policy should not be of STANDARD type.
Each set of the following statements (CHARGE, DRAW, DISTILL, SPEC, VARY,
RUNUNTIL, DUMP, DECANT, RECYCLE) must immediately follow the corresponding
POLICYSEG statement. At least a DISTILL is required.
A single policy segment may include several actions (CHARGE, DRAW, DISTILL etc.) if
stopping conditions are compatible. Otherwise, separate segments can be used. The first
policy segment must always include the initial charge to the stillpot, using the CHARGE
action. DISTILL is the only action type during which the integration over time (the actual
distillation simulation) is active.
One can override other specifications such as THERMO, PRESSURE PROFILE,

HOLDUP, CONDENSER, HEATERS & COOLERS defined globally in each policy based
on the policy type. Reactions that are defined globally can be specified using RXTRAY
card in the policy segments.
Thermodynamic Set Selection (optional for policies)

All the rules defined above for Thermodynamics apply to policy level override options.
However, these are
1) Not allowed for first policy.

2) For VLLE problems, condenser and stages connected to Decanters should be
assigned to a VLLE thermo method.
3) For a VLE problem it is necessary that all the stages are specified a VLE thermo
only. VLLE problems can have VLE thermo assigned to stages without decanters.
4) While specifying thermodynamic methods stage wise, the un-specified stages are
assigned the Pro/II default thermodynamic method.
PRESSURE (unit) stgno, value/...
DLTIME (unit) = value, (Delay Time – default is 1.5 sec, range is >1.5 sec)
DPTIME (unit) = value, (Ramp Time – default is 100 sec, range is > 5 sec)
or
®
PSPEC
PCON(unit) = value, {PTOP(unit) =value,}
DPSTAGE (unit) = 0.0 or DPCOL (unit) =value
U U
or
PPOT (unit) = value
DLTIME (unit) = value (Delay Time – default is 1.5 sec, range
is >1.5 sec)
DPTIME (unit) = value (Ramp Time – default is 100 sec, range
is >5 sec)
1) Not allowed for first policy.

The policy pressure profile may be defined on either a PRESSURE or PSPEC statement.
Stage pressures may not be varied by the batch distillation algorithm, but may be changed
external to the unit by CONTROLLERS, MVCs and OPTIMIZER unit operations, and
CASESTUDIES and INTERACTIVE features.
PRESSURE The pressure is specified for each individual stage.
Pressures must be given for me top and bottom
stages (condenser and stillpot). Optionally, pressures
may be given for any intermediate stage. The
pressure for any stage not defined is determined by
linear interpolation from data given for the nearest
stages above and below.
PSPEC Condenser pressure, column top pressure (optional),
and pressure drop or bottom pressure are specified.
The pressure profile varies linearly with respect to
stage number over the stillpot and column, and also
over the condenser if PTOP is not given.
or
DPCOL The pressure drop across the column. This drop
includes the condenser if PTOP is not given.
or
DPSTAGE The pressure drop per stage. This applies between
the stillpot and condenser unless PTOP is given, in
which case it extends only to the column top stage.
Aliased to DPTRAY and DP
DPTIME The time for pressure change from
the previous policy values.

DLTIME Delay time before the pressure change from the
previous policy values.
Stage Liquid Holdup Specification (optional for policies)

(Alias LHOLD)
or
All the keywords are defined above and have the same meaning. Additionally,

2. Holdup specification is not allowed for STANDARD type of policy.
Condenser Type Specification (optional for policies)

U U
TEMP (unit) = value (for TFIX condenser)

or
(basis = mass/mole)

2. When the policy condenser is specified as Partial or Mixed type for a Total Reflux
policy, the condenser is treated as a Bubble point condenser as the calc
internally sets the total distillate flowrate to zero.
3. If in policy “k” (of Standard type) the condenser is of Partial or Mixed type, then
for policy “k+1” which of Total Reflux type, the condenser is treated as a Bubble
point condenser. For policy “k+2” which is of Standard type, the condenser would
be treated as defined in policy “k”.
®
Heaters / Coolers (optional for policies)
DUTY stgno, value/ ….. (Stgno range: 2 to N-1)
NODUTY

2. The NODUTY card is to turn off all Heaters / Coolers for the current &
subsequent policies until specified again using the DUTY card.
4. Heaters & Coolers are not applicable to TOTAL REFLUX kind of policies.
Reactions (optional)
RXTRAY ID=reactionid, TRAY=stage1, {stage2}/…
NORXTRAY
®
Reactions can be defined for VLE systems in BATCHFRAC . Only reactions defined
P PB B
globally can be used in the unit. The reactions parameters cannot be modified locally.
1) Reactions are not allowed for the first policy.

2) The NORXTRAY card is to turn off all reactions for the current & subsequent
polices until specified again using the RXTRAY card
3) These two cards are mutually exclusive.
4) Reactions are not applicable to the TOTAL REFLUX kind of policies.
5) Only one reaction set is allowed per stage. Reactions are allowed on all
stages including condenser & reboiler.
6) Multiple RXTRAY cards need to be used to specify different reaction sets for
different stage(s) in the BATCHFRAC column.
RXTRAY Reactions can be defined for VLE columns using a

RXTRAY card. The reactions should have defined in
the reactions section under the general reactions
section before to use this card. Global reactions can
only be used in BATCHFRAC® and not local
reactions. All the reaction parameters should be
given in the global reactions card. Only the reactions
sets can be defined for each tray or a range of trays.
Once a reaction set is defined in any policy, then it
continues to be running until a NORXNTRAY card is
defined in any of the future policies.

TRAY Stage numbers, starting and ending tray pairs can
given by a slash separated loop.
REACTIONID ID of the reaction set that is defined in the global
reactions. Only 1 reaction set can be defined for 1
tray. A reaction set itself can contain more than one
reaction and can be any type viz. equilibrium or
kinetic. If both equilibrium and kinetic parameters for
®
a reaction is given, then BATCHFRAC considers
P P
such reactions as kinetic reactions and ignore the

equilibrium constants of the reaction.
NORXNTRAY Use this card to stop all the reactions in all the trays.
This card cannot be used with RXNTRAY card in the
same policy.
Charge
Multiple CHARGE statements are allowed within a POLICYSEG set. The CHARGE action
is used for the initial charge to the stillpot, and any subsequent instantaneous or
continuous charges. Instantaneous charges are allowed only to the pot. Continuous
charges may be to any stage.
CHARGE FEED = sid, CHGID = chgid
DTIME = value
RATE (basis, unit) = value
STILLPOT (alias POT)
or
STAGE = stgno,
SEPARATE/NOTSEPARATE
U U
An initial charge to the stillpot must be included in the first sequential policy segment. An
initial charge must correspond to a fixed amount (no RATE without DTIME or AMOUNT).
All initial charges will be completed before distillation (DISTILL) is started.
If all initial charge(s) are specified as continuous with specified or implied duration, then
they must be in the first policy segment. The charge(s) will be treated as
instantaneous: only the amount(s) will be used, and the distillation clock will not be started
until the total initial charge is complete.
Any instantaneous charge in the same policy segment with a DISTILL action, will be
carried out before starting the DISTILL action.
Except for the initial charge as discussed above DISTILL action must be active in order for
continuous charging to occur.
®
When RATE is given without TIME for any charges, then it is considered to be a
continuous charge.
FEED Entry of the sid refers to the stream on the FEED

statement which is to be used as source for the
charge.
CHGID A unique textual description for the charge. one to
twelve alphanumeric characters, 'chgid' is being
defined here. A default id will be assigned if not
given by the user.
STAGE The number of the destination stage for the
charge. This is not allowed for an instantaneous
charge, but required for a continuous charge.
STILLPOT The charge will be made to the stillpot. This is the
default. The stillpot accepts either instantaneous
or continuous charges. The initial policy statement
requires at least one instantaneous charge to
provide the initial charge into the stillpot.
AMOUNT The amount to be charged. If neither DTIME nor
RATE is present, this is an instantaneous charge.
RATE The flowrate for a continuous charge. If AMOUNT
is also given, RATE defines the duration of the charge.
DTIME The duration of a continuous charge. If AMOUNT is also
given, DTIME defines the flowrate of the charge.
NOTSEPARATE The presence of either NOTSEPARATE or SEPARATE
determines how the feeds enter the stage.
NOTSEPARATE (the default) implies that both the liquid
and vapor portions of each feed are fed directly to the
liquid portion of the corresponding feed tray.
NOTSEPARATE/ SEPARATE must appear after the last
"Sid, no" pair to take effect, else the default
NOTSEPARATE will be used. It applies to all feeds.
or
SEPARATE The SEPARATE entry adiabatically flashes each feed
into its vapor and liquid phases. If both phases are
present, the liquid feed into the designated tray, but the
vapor enters the tray directly above. This option best
simulates a typical feed nozzle projecting into the vapor
space so that the liquid portion of the feed drops to the
liquid below and the vapor portion mixes with the vapor
traveling to the tray above.
Sid The feed stream identifier.

Also,
1. For the first policy, it is compulsory to have an instantaneous feed or feed

specified as “rate over a time period”.
2. Continous feeds are not allowed for TOTAL REFLUX kind of policies.
3. A feed stream can be used only two times in a policy – once for specifying an
instantaneous feed and once for specifying a continuous feed.
4. The keywords SEPARATE & NOTSEPARATE keywords can be used only with
continous feeds.
Distill Specifications
DISTILL
A) Total Reflux Specification (valid for TOTAL REFLUX & BOTH kind of policies):
TRFBOILUP (basis, unit) = value, (M, WT, GV basis)
U U
B) Distillate Specifications (valid for STANDARD & BOTH type of policies):

BOILUPRATE (basis, unit) = value, (M, WT, GV basis)
U U
or
QREB (unit) = value
or
RRATIO / LRRATIO = value (not applicable for VLLE case)
or
DISTRATE / LRATE (basis, unit) = value, (M, Wt, LV basis)
or
QCOND (unit) = value
or
RRATE (basis, unit) = value (applicable for VLLE case only)
®
1. For the Distill spec of the first policy the Total Reflux molar boilup rate
specification is defaulted to 10% of still pot contents per unit time.
2. Only one DISTILL card is allowed per policy.
3. For any TOTAL REFLUX type of policy, only Total Reflux Boilup rate is
necessary.
4. For STANDARD type policy, only Distillate Specifications are necessary.
5. For BOTH type of policy, both types of specifications necessary.
6. For VLE problems two Distillate Specifications are necessary whereas for VLLE
problems only one Distillate Specification is necessary.
7. The following table details the valid pairs of Distillate Specifications:
TABLE 19.4-2
VALID PAIRS OF DISTILLATE SPECIFICATIONS
D RR BR QC QR
D X X X X
RR X X X X
BR X X
QC X X
QR X X
a) Distillate Rate (D)

b) Reflux Ratio (RR)
c) Condenser Duty (QC)
d) Reboiler Duty (QR)
e) Boilup Rate (BR)
TRFBOILUP Define TRFBOILUP for all TOTAL REFLUX boilup

rates that control the vapor flow rate in the column.
This card needs to be defined for non-STANDARD
type of policies.
BOILUP Define BOILUP rate for non-TOTAL REFLUX type of
policies rates that control the vapor flow rate in the
column during distillation. Refer to the table above for
the combination of the distillate specifications for a
STANDARD type policy
RRATIO The molar reflux ratio, defined as the ratio of
condenser liquid product returned to the column

DISTRATE. Refer to the table above for the
combination of the distillate specifications for a
STANDARD type policy
DISTRATE The liquid distillate molar flowrate. Liquid distillate
is fed to the accumulator. This specification will be
overridden by a subsequent RRATIO specification.
The first DISTILL policy segment usually a TOTAL
REFLUX type, starts with the initialized column
contents and runs at zero liquid distillate flow until the
calculations reach steady state. Refer to the table
above for the combination of the distillate
specifications for a STANDARD type policy
QCONDENSER Define condenser duty with this keyword. It can be
any of the five distillate specifications. Refer to the
table above for the combination of the distillate
specifications for a STANDARD type policy.
QREBOILER Define reboiler duty with this keyword. It can be any
of the five distillate specifications. Refer to the table
above for the combination of the distillate
specifications for a STANDARD type policy
RunUntil Criterion
Only one RUNUNTIL statement is allowed within a POLICYSEG set. RUNUNTIL criteria
are reasons for stopping an individual policy segment, as opposed to the general stop
criteria, which remain in effect during the whole batch distillation.
RUNUNTIL TlME (unit) = value

or
or
PURITY (fraction/percent/ppm/ppb, basis) = cnoi, {cnoj,} value,
U U B
B
B
B
or
TEMPERATURE (unit) = value,
evaluated at
ACCUMNAME=accumname,
or
POT
or
STAGE = stgno,
with
APPROACH = ABOVE, or BELOW (Required field)
®
1. Only one RUNUNTIL specification allowed for per policy.
2. For rununtil criterion TIME no other specification is required.
3. Rununtil criterion AMOUNT can be specified for any accumulator or still pot.
APPROACH cannot be specified with AMOUNT run until criterion.
4. Rununtil criterion TEMPERATURE can be specified on a stage or still pot. The
5. Rununtil criterion PURITY can be specified for accumulator, still pot or stage. The
Associated with the criteria TIME, AMOUNT, PURITY and TEMPERATURE are logical
switches which are initialized to false. Any one of the criterion can be given in any one
policy. Satisfaction of any one of the logical criteria on the one or more RUNUNTIL
statements within a policy segment is sufficient to terminate a DISTILL action.
TIME Switch to true when the cumulative process time,

since the start of the simulation, reaches the
specified value.
TEMPERATURE Specify the temperature to be attained in the still pot

or any of the stages. APPRAOCH from below or
above is necessary with this criterion.
AMOUNT Specify the amount to be attained in the still pot or

any of the accumulators.
PURITY Specify the purity of a component to be attained on

any of the stages or any of the accumulators. Give
the value of the purity required in fraction, percent,
ppm or ppb with a basis (mole, mass or volume).
APPRAOCH from below or above is necessary with
this criterion.
APPROACH Attain the RUNUNTIL criterion from the ABOVE or

BELOW. The solver tests for this condition if purity or
temperature on any stage will be able to attain from
ABOVE or BELOW. Cannot give this keyword with
AMOUNT criterion.
ACCUMNAME Accumulator name in which the purity or amount to be

met.
STAGE Stage on which the purity or temperature needs to be

met.
Multiple DRAW statements are allowed within a POLICYSEG set. The DRAW action is
used for continuous withdrawals from any stage into the accumulator.
DRAW STAGE=stgno, PHASE =L / V, ACCUM=accumname,
U U

RATE (basis, unit) = value,
1. From any stage only 2 draws, one for each phase is allowed.
2. Draw from the first stage (condenser) is not allowed.
3. For VLLE type of problems, DRAW cards are not allowed on any stage.
A DISTILL action must be active in order for a DRAW operation to occur.
STAGE The number of the source stage for the product.

PHASE Phase to be drawn whether Vapor or Liquid
ACCUM Accumulator name to which the liquid or vapor is
drawn.
RATE Rate at which the products needs to be drawn.
Control Specifications
SPEC and VARY are used to specify a dynamic controller. They must be used together.
Only the proportional controller is available at present.
SPEC refers to me set point of the controlled variable - the variable for which a value is to
be specified
SPEC TEMPERATURE (unit)
or
PURITY (fraction/percent/ppm/ppb, basis)
U U
VALUE = value
STAGE = stgno
COMP = cnoi, {cnoj,}
B
B
B
B
VARY RRATIO, MINI = value, MAXI = value,

or
DISTRATE (unit), MINI = value, MAXI = value,
or
QCOND (unit), MINI = value, MAXI = value,
or
QREB (unit), MINI = value, MAXI = value,
or
®
BOILUP (unit), MINI = value, MAXI = value,
{CONTRGAIN = value (Default = 1.0)
INTEGRALTIME = value (Default = 1.0e+6)
DERIVTIME = value (Default = 0.0)
MANVARLAG = value (Default = 0.0)
MEASURELAG = value (Default = 0.0)}
1. A spec card should be always associated with a vary card.

2. Only one pair of Spec-Vary can be given.
3. The purpose of the controller is to keep either a tray temperature or a stage
composition at some set point value while the batch distillation column is running.
The controller must be making changes continually because the process
conditions are always changing when products are being withdrawn from the
column. The controller does not override the rununtil spec by exiting the moment
the controller spec is met. The controller continues to execute while the dynamic
simulation progresses.
4. The controller manipulated variable should be one of the distill specifications.
5. The manipulated variables distillate rate & boilup rate can be specified in molar
units only.
6. Controller is not allowed with VLLE problems.
TEMPERATURE Specify the temperature to be attained in the still pot

or any of the stages. APPRAOCH from below or
above is necessary with this criterion.
PURITY The sum of compositions (fractions, percents or ppm;
mole, weight or volume basis) on the single stage
specified with STAGE, for the components specified
with COMP, is specified at the value given. As an
example of the component number input for mole
fractions x I , “COMP=1,3/6/8,10” implies “(x 1 + x 2 + x 3 )
B B B B B B B B
+ x 6 + (x 8 + x 9 + x 10 )”.
B B B B B B B B
VARY VARY identifies the manipulated variable, which will

be varied to meet the above specification.
RRATIO Reflux Ratio to be varied between the two values to
achieve the SPEC specified value.
DISTRATE Distillate Rate to be varied between the two values to

BOILUP Vapor Boilup Rate to be varied between the two
values to achieve the SPEC specified value.
QCON Condenser Duty to be varied between the two values
to achieve the SPEC specified value.
QREB Reboiler Duty to be varied between the two values to
MINIMUM Lower limit for the any of the above variables to be
varied.
MAXIMUM Upper limit for the any of the above variables to be
varied.
CONTRGAIN Controller gain. Gain units are manipulated variable
units divided by set point units. (All must be in SI
units.)
INTEGRALTIME Integral time constant (reset time). (Default=1x106
seconds for no integral action)
DERIVTIME Derivative time (Default=zero for no derivative action)
MANVARLAG Manipulated variable lag time constant (Default=0)
MEASURELAG Measurement lag time constant (Default=0)
Decant Specifications
DECANT STAGE=stgno, LHLDP (basis) = value, (Basis = M or WT or LV)

L1RFRAC=value L2RFRAC=value
DTBB (unit) = value (default value = 0.0)
or
TEMP (unit) = value
{L1RSTG=stgno, L2RSTG=stgno
PRES (unit) = value}
1. Return stages for liquid 1 & liquid 2(L1RSTG & L2RSTG) are defaulted to the
next stage.
2. The decanter temperature is defaulted to zero degrees sub-cooling, i.e. DTBB =
0.0
3. The decanter PRES is defaulted to the decant stage pressure.
4. Return fractions (L1RFRAC & L2RFRAC) are in mole basis only.
®
DECANT Give decant specifications for VLLE columns to
separate the two liquid phases from any stage. You
can also specify the fraction of L1 and L2 phases to
be returned the next stage. One needs to specify the
temperature or temperature drop and holdup of the
decanter so that liquid from the stage is collected and
separated at a different temperature.
STAGE Give stage number from which a liquid for decant and
separation of phases to be made.
LHLDP Holdup of the decanter for which a temperature and
pressure is applied to separate the two phases. This
is a required keyword.
L1FRAC/L2RFAC Fractions of L1/L2 phases that should be returned
back to the column.
L1RSTG/L2RSTG Stage numbers in the column for L1/L2 fractions to be
returned. By default, these are the next stage from
which the decant liquid is drawn.
TEMP Temperature at which the phase should be separated.
Either TEMP or DTBB must be given for the decanter.
DTBB Temperature below bubble point at which the phase
separation should take place. Either DTBB or TEMP
must be given for the decanter.
PRES Pressure of decanter at which phases should be
separated. If not given, this pressure is taken same as
the stage pressure.
Dump Specifications
DUMP PROD = prodsid, ACCUM = accumname,
1. Not allowed in FIRST policy.

2. The contents of an accumulator can be dumped in the subsequent policies only.
3. Unused accumulators (accumulators not assigned by any DRAW statement) can
not be dumped.
4. A dump stream can be used only once in the simulation.
DUMP Dump card is used transfer the contents of an

accumulator to a stream. It should also be used
before a recycle is defined in the next policy.
Therefore Dump card makes contents of the
accumulator to put into a defined dump stream. The

DUMP card can be used only if Distillate is drawn in
the main accumulator or liquid / vapor is drawn into
side accumulators by using a DRAW card. The
flowrate of the stream is = accumulator contents /
batch cycle time. However when a RECYCLE is
defined based on this dump card, then the fraction of
recycle is taken before setting the flowrate of the
stream.
DUMP card is not allowed in the first policy
PROD Define the stream name into which a the accumulator
contents can be dumped. These streams should
have been defined under DUMP key under the
PRODUCT card.
ACCUM Define accumulator from which the contents of the
accumulator can be transferred to the stream under
the product card. The accumulator must have been
filled using a DRAW card for side accumulator or
through regular DISTILL card for the main
accumulator by a non-total reflux policy.
Recycle Specifications
RECYCLE accumname, accumfrac, ppsegid/ ……
RECYCLE Use this card to recycle a fraction of the accumulator
contents back to the still pot. The requirement to use
this card is that the accumulator contents should have
been dumped in any of the previous policies.
accumname name of the accumulator.
accufrac fraction of the accumulator to be recycled
ppid previous policy id in which the accumulator has been
dumped.
®
20 – PIPEPHASE UNIT
U
OPERATION (PPUOP)
Keyword Summary

PPUOP UID=uid, {NAME=text}
Feeds and Products (optional)

SIDE(1) {FEED=sid, {sid,...}},{ PROD= sid, {sid,...}}
INT(1) {value1 }, {value2 }
B B B B
TXT(index) value1, {value2 },….{ value29}

B B B B B B
General Information
The PPUOP (generally referred to as the PIPEPHASE unit operation) is similar to other
PRO/II unit operation and it allows PIPEPHASE simulations to be sequenced by PRO/II.
This will also allow you to define many of PIPEPHASE parameters as
SPEC/VARY/DEFINE in PRO/II.
The PIPEPHASE simulation file referred by the PRO/II simulation file is

responsible for simulating the PPUOP.
Keyword Description

PPUOP UID=uid, {NAME=text}
Feeds and Products (optional)

SIDE(1) {FEED=sid, {sid,...}},{ PROD= sid, {sid,...}}
INT(1) {value1 }, {value2 }
B B B B
Chapter 20 PIPEPHASE UNIT OPERATION (PPUOP) 929

TXT(index) value1, {value2 },….{ value29}
B B B B B B
In the keyword file, the integer after INT or TEX implies that the input begins from
that parameter number. For example, if the first INT parameter is being used (which is
optional in the case of PPUOP) the keyword would be INT(1) where 1 is the entry for the
first INT parameter.
If value1 is ‘ n’ then n values need to be supplied in the TXT vector starting from the
B B
TXT(10) i.e. TXT(10) to TXT(10+n-1).
INT Values
There is one INT entry for the PPUOP unit operation.
Table 20 -1
Integer Parameters
Valuen B B ID Description
Value1 B B Numberofdatamaps Total number of SVD data links. The
Maximum limit is 20.
Value2 B B Component mapindex PRO/II-PIPEPHASE components mapping
method.
0 = Based on Names (Default)
1 = Based on Index
TXT Values
Following are the TXT values permitted and their description.
Table 20 - 2
Text Parameters
1 InpFilename PIPEPHASE input/ppzip file name.
2 PPfeedstrmid List of PIPEPHASE sources. Maximum limit is 10.
3 PPprodstrmid List of PIPEPHASE sinks. Maximum limit is 10.
4 VersionID PIPEPHASE version ID.
10 Define1 1st data link definition. It includes four parameters
P P
namely PIPEPHASE device type, PIPEPHASE

Table 20 - 2
Text Parameters
device ID, PIPEPHASE parameter API ID and
corresponding PRO/II UOM keyword. Each
parameter is separated with comma.
nd
11 Define2 2 P P data link definition.
rd
12 Define3 3 data link definition.
P P
th
P P
14 Define5 5th data link definition.

P P
th
P P
th
P P
th
P P

P P
th
P P
th
P P
th
P P
th
22 Define13 13 P P data link definition.
th
P P
th
P P
th
P P
th
P P
th
P P

P P
th
P P
TXT(2) indicates the PIPEPHASE Source list for the PPUOP. Hence, the number
of entries on this list should match the number and order of streams on the FEED card.
Identifiers on the Source list should be unique.
TXT(3) indicates the PIPEPHASE Sink list for the PPUOP. Hence, the number of entries
on this list should match the number and order of streams on the PRODUCT card.
Chapter 20 PIPEPHASE UNIT OPERATION (PPUOP) 931

Example:
1. Define a PPUOP with the following characteristics:
Attribute Value
Number of datalink defines 2
Components mapping By Name
method
PIPEPHASE Input file name Pp_t5.inp
PIPEPHASE sources KA, KB
PIPEPHASE sinks SNK, SNK1
PIPEPHASE Version 9.0
st
1 data link
P P Outlet pressure of PIPEPHASE Pump
P001
nd
2 P P data link Inside diameter of PIPEPHASE Pipe P002
Keyword input for this PPUOP:
PPUOP UID=PP1
SIDE(1) FEED=SNKLIQ, SNKVAP, PROD=S1,S2
INT (1) 2,0
TEX (1) Pp_t5.inp
TEX (2) KA,KB
TEX (3) SNK,SNK1
TEX (4) 9.0
TEX (10) Pump, P001, OUTLET PRES, PRES
TEX (11) Pipe, P002, PIPE ID, FLEN

21.1 – PROCESS TAG/
U
RAW DATA FILES

Process Tag/Raw Data
The raw data input file (*.RAW) contains the measured values of the variables. This file
can be generated using a text editor or routines normally supplied by a DCS database or
data historian supplier.
Entering the Date

The format for the *.RAW file is very flexible, but a good practice to follow is for the first
statement to contain the keyword DATE followed by an integer number (up to 12 digits)
specifying the date the data were measured. This entry is optional. If entered, it must be
the first record of the file.
Example
For data recorded on August 2, 2001:
DATE 02082001
For data recorded on August 2, 2001 at 10:30 PM:
DATE 020820012230
Entering the Tags

The following statements should contain all the measured variables, one statement per
variable of the following format:
Tagname Value
The “Tagname” is a unique identifier of up to 16 alphanumeric characters, while “Value” is
the associated measurement value. The user can enter the “Value” in integer, floating-
point, or scientific (E) format.
Comments
There are other flexibilities built into the RAW data file such as comments and non-
standard entries. A comment can appear on any statement after a $ character. If the total
statement is meant to be a comment, then the $ should be the first character. If the
comment is to follow after the data described above, the only requirement is that the $ be
the first character. Blank lines are also allowed.
Another feature is a check to see if the second entry on a statement is a valid real
number. If it is not, then the entire statement is ignored.

Chapter 21.1 PROCESS TAG/RAW DATA FILES 933

Example of RAW data file
A sample RAW data file with Tags follows.
$**************************************************
$ THIS IS A TYPICAL RAW DATA FILE
$**************************************************
DATE 04152001
CFC151 431.6
FC001 3001.0
FC003 2158.2
$
FI001 377.5
TI009 707.0
FI002 380.0
TI004 157.1
TI005 313.0
FIC001 731.0
$
Keyword Summary
Keyword Input File Header
TITLETAGFILE=fileid
TAGFILE This entry informs PRO/II that Tag Data is to be used. PRO/II
searches for and imports the file supplied by the ‘fileid’. The
filename must be complete including the extension since the
tag file can have numerous extensions (e.g., .RAW or .ADJ).
The user can provide the entire filespec path, if desired. If the
specified file cannot be found, a warning is given.
fileid This optional argument identifies the tag data
file to be used.

21.2 – TAG DATA
U
INPUT
REQUIREMENTS
Keyword Summary
Input File Header
TITLETAGFILE=fileid
Component Data
PETROLEUM i, name, MW or ##MWtag##, std liq density or
##stdliqdens##, NBP or ##NBPtag##/ ...
Stream Data
Streams Defined With Pure Components
PROPERTY STREAM=sid, {NAME=text},
TEMP(unit)=value or ##temptag##, PRES(unit)=value or
##prestag##
or
(Liquid Fraction fixed)
TEMP(unit)=value or ##temptag##, or
PRES(unit)=value or ##prestag##, and
LFRAC(basis)=value or ##lfractag##, or PHASE=L or V
COMPOSITION (basis)=i, value or ##compitag##/ ...,

{RATE(basis, unit}=value or ##ratetag##, NORMALIZE}
Streams with Assay Data
Overall Stream State

PROPERTY STREAM=sid, {NAME=text},RATE(WT or LV, unit}=value or
##ratetag##, ASSAY=LV or WT, {BLEND=name or
XBLEND=name}
##prestag##

Chapter 21.2 TAG DATA INPUT REQUIREMENTS 935

or
TEMP(unit)=value or ##temptag##, or PRES(unit)=value or
##prestag##, and
LFRAC(LV or WT)=value or ##lfractag##, or PHASE=L or V

D86 DATA=pct, value or ##D86itag##/ ..., {STREAM=sid, TEMP=K or C or R or F},
{PRES(MMHG)=760.0} {CRACKING}
or
TBP or D1160 DATA=pct, value or ##TBPitag##/ ..., {STREAM=sid, TEMP=K or C
or R or F}, {PRES(MMHG)=760.0}
or
D2887 DATA=pct, value or ##D2887itag##/ ..., {STREAM=sid,
TEMP=K or C or R or F}

Standard liquid gravity measured at 60° F (15.5° C)
API or SPGR AVERAGE=value or ##MWvalue##, {STREAM=sid},
or WATSONK {DATA=pct, value or ##MWitag##/ ...}

MW DATA=pct, value or ##TBPitag##/ ..., {STREAM=sid}, {AVERAGE=value or
##MWvalue##}

LIGHTEND COMPOSITION (M or WT or LV or GV)=i, value or ##com-
pitag##/ ..., {RATE(M or WT or LV or GV)=value or
##ratetag##, or FRACTION(WT or LV)=value or ##fractag##,
or PERCENT(WT or LV)=value or ##pcttag##, or
MATCH or NOMATCH}, {STREAM=sid, NORMALIZE}
Unit Operations
Enter Unit Operating parameters as Tags using the Define construct:
DEFINE <property> AS value or ##partag##
or
DEFINE <property> AS <unit type>=uid, <property 1>, <operator>, value or
##partag##

DEFINE <property> AS STREAM=sid, <property 1>, <operator>,
value or ##partag##
General Information
In the Keyword Input File, it is possible to mark numeric fields for substitution at run time.
The fields to be substituted should be marked by two pound signs “##” at the beginning
and end of a field tag name in the correct position. The number to written into the field is
supplied in the *.RAW file with the field tag name.
The substitution tag name must be no more than 12 characters and cannot include
imbedded blanks. However, there may be blanks between the delimiting ##’s and the field
tag name. The substitution tag and the ##’s on both sides of the tag must be on the same
line.
This chapter deals with issues pertaining to using tag data with the keyword input file.
Additional information about Petroleum Components, Streams with Defined Components,
Streams with Assay Data and Unit Operation Data is found in the appropriate section of
the Keyword Input Manual.
Input Description
Input File Header
TITLE TAGFILE=fileid
TAGFILE This entry informs PRO/II that Tag Data is to be used.

PRO/II searches for and imports the file supplied by the
‘fileid’. The filename must be complete including the
extension since the tag file can have numerous
extensions (e.g., .RAW or .ADJ). The user can provide
the entire filespec path if desired. If the specified file
cannot be found a warning is given.
fileid This optional argument identifies the tag
data file to be used.
Component Data
PETROLEUM i, name, MW or ##MWtag##, std liq density or
(densunit, tunit) ##denstag##, NBP or ##NBPtag##/ ...
Components are defined in terms of petroleum fractions. Component properties are
calculated based on the characterization methods.

i Simulation component number.
name The name used in the output report for this
component. You may provide a maximum of
16 alphanumeric characters. If you do not
give a name, PRO/II will assign one based on
the NBP.
Any two of the following three are required. The remaining value is calculated according to
the MW entry on the ASSAY statement.
MW, MW supplied as a value or as a tag.

MWtag
Std Liquid The standard liquid density
Density, measurement at 60° F in units
denstag defined by the densunit qualifier on
the PETRO statement supplied as a
value or as a tag. If now qualifier is
provided for PETRO, the standard
liquid density units are given by the
XDENSITY entry on the DIME
statement.
NBP, The normal boiling point at 1 atm in
NBPtag problem temperature units supplied
as a value or as a tag.
Stream Data
Streams Defined With Pure Components
PROPERTY STREAM=sid, {NAME=text},
TEMP(unit)=value or ##temptag##, PRES(unit)=value or ##prestag##
or
TEMP(unit)=value or ##temptag##, or
PRES(unit)=value or ##prestag##, and
LFRAC(basis)=value or ##lfractag##, or PHASE=L or V
COMPOSITION (basis)=i, value or ##compitag##/ ...,
{RATE(basis, unit}=value or ##ratetag##, NORMALIZE}
assay data.
STREAM The “sid” supplies the identification label required by each

stream in the file.
TEMP The stream temperature supplied as a value or as a tag.
PRES The stream pressure supplied as a value or as a tag. If the
stream is a column fee, it defaults to the feed tray pressure.
PHASE This declares the initial phase condition of the stream. There
is no tag value associated with this property.
LFRAC The initial liquid fraction of the stream supplied as a value or
as a tag. Liquid fraction may be supplied on a mole (M -
default), weight (WT), or liquid volume (LV).
COMPOSITION Required if the stream contains a vapor or liquid phase.
COMPOSITION may be given on a mole (M - default), weight
(WT), or liquid volume (LV) basis, and needs not match the
RATE basis.
When RATE is given, the values or tag data entered for each
component represent compositions and must sum to 1.00+/-
0.01 (fractions), 100+/-1 (percent), or RATE+/-1%.
Alternatively, the NOCHECK keyword may be given. If one of
these criteria is not satisfied, an error condition results.
When RATE is not given, the values or tag data given here
are actual component flowing rates.
i Component number. When omitted, “i”
defaults to the next component number in
sequence. If none of the components have
“i” entries, the first value entry applies to
component 1.
value The rate or composition of component “i”.
compitag The composition measurement tag of
component “i”.
RATE The initial overall rate of the stream fluid fraction supplied as
a value or as a tag. It is allowed as an option only when the
COMPOSITION entry is present. If RATE is missing, values
entered on the COMPOSITION entry represent actual
component flowrates. Rate may be supplied on a mole (M -
default), weight (WT), liquid volume (LV), or gas volume (GV)
basis.

Streams with Assay Data
Overall Stream State
PROPERTY STREAM=sid, {NAME=text},RATE(WT or LV, unit}=value or
##ratetag##, ASSAY=LV or WT, {BLEND=name or
XBLEND=name}
##prestag##
or
TEMP(unit)=value or ##temptag##, or PRES(unit)=value or
##prestag##, and
LFRAC(LV or WT)=value or ##lfractag##, or PHASE=L or V
assay data.
STREAM The “sid” supplies the identification label required by each stream in
the file.
TEMP The stream temperature supplied as a value or as a tag.
PRES The stream pressure supplied as a value or as a tag. If the stream is
a column fee, it defaults to the feed tray pressure.
PHASE This declares the initial phase condition of the stream. There is no
tag value associated with this property.
LFRAC The initial liquid fraction of the stream supplied as a value or as a
tag. Liquid fraction may be supplied on a mole (M - default), weight
(WT), or liquid volume (LV).

D86 DATA=pct, value or ##D86itag##/ ..., {STREAM=sid, TEMP=K or C or R or F},
{PRES(MMHG)=760.0} {CRACKING}
or
TBP or D1160 DATA=pct, value or ##TBPitag##/ ..., {STREAM=sid, TEMP=K or C
or R or F}, {PRES(MMHG)=760.0}
or
D2887 DATA=pct, value or ##D2887itag##/ ..., {STREAM=sid,
TEMP=K or C or R or F}
One of these statements must appear immediately after the corresponding PROPERTY
statement.

DATA This entry is required to supply the actual distillation data points.
Each data point consists of two pieces of information: (1) the cut
point, expressed as a percentage of the cumulative distillates, and
the (2) the temperature of the cut. The cut point must be supplied
as a numeric value, whereas the temperature may be supplied as
either a numeric value or through tag data.
Data must appear with the cut percentages in ascending order,
consistent with the basis declared on the ASSAY entry of the
PROPERTY statement. Data supplied on the LIGHTENDS
statement override the corresponding portion of the distillation
data.

Standard liquid gravity measured at 60° F (15.5° C)
API or SPGR AVERAGE=value or ##MWvalue##, {STREAM=sid},
or WATSONK {DATA=pct, value or ##MWitag##/ ...}
One of these statements which defines the stream gravity measured at 60 F (15.5 C) must
follow the distillation data statement after the PROPERTY statement. The AVERAGE
entry is required; all other entries are optional. When the DATA entry is not supplied,
PRO/II generates a gravity curve based on the distillation data and the average gravity
value.
AVERAGE This entry defines the average value for the fluid portion of the
stream, including any lightends. This entry is required and be
supplied as either a value or through tag data.
DATA This option allows the entry of user-supplied data points that replace
the PRO/II generated gravity curve. If used at least three data points
must be provided. Each data point consists of two pieces of
information: (1) the mid-volume or mid-weight percent of the data
point, and (2) the gravity or Watson characterization value
associated with the mid-volume or mid-weight percent. The mid-
volume or mid-weight percent must be supplied as a numeric value,
whereas the gravity may be supplied as either a numeric value or
through tag data.

MW DATA=pct, value or ##TBPitag##/ ..., {STREAM=sid}, {AVERAGE=value or
##MWvalue##}
This optional statement defines the molecular weight curve of the assay stream and
follows the distillation data statement after the PROPERTY statement. If this statement is
used, the DATA entry must appear, but the AVERAGE entry is optional. If the MW
statement is not given, PRO/II estimates the molecular weights for all assay cuts, using
the method chosen by the MW entry on the ASSAY statement, in the Component Data

category of input.
DATA This option allows the entry of user-supplied data points that
replace the PRO/II generated MW curve. If used at least three data
points in order of ascending weight percentages must be provided.
Each data point consists of two pieces of information: (1) the mid-
volume or mid-weight percent of the data point, and (2) the
molecular weight value associated with the mid-volume or mid-
weight percent. The mid-volume or mid-weight percent must be
supplied as a numeric value, whereas the MW may be supplied as
either a numeric value or through tag data.
AVERAGE Optionally, this entry defines the average molecular weight for the
fluid portion of the stream. This entry may be supplied as either a
value or through tag data. If the average value is provided, PRO/II
normalizes or extrapolates the MW curve as required to satisfy the
average MW of the stream. If omitted, PRO/II uses quadratic
extrapolation of the MW curve, as needed to compute an average
molecular weight.

LIGHTEND COMPOSITION (M or WT or LV or GV)=i, value or ##com-
pitag##/ ..., {RATE(M or WT or LV or GV)=value or
##ratetag##, or FRACTION(WT or LV)=value or ##fractag##,
or PERCENT(WT or LV)=value or ##pcttag##, or MATCH or
NOMATCH}, {STREAM=sid, NORMALIZE}
The LIGHTEND statement defines the light hydrocarbon components in the assay
analysis. All components appearing on this statement must be defined in the Component
Data Category. The COMPOSITION entry is required, but all other entries are optional.
COMPOSITION Required. This entry identifies the components that constitute the
lightends of the stream. The flow of each component in the
lightends may be supplied as an actual flow rate or as a fraction or
percentage of the total stream fluid rate.The basis may be mole (M
- default), weight (WT), or liquid volume (LV) basis, and needs not
match the basis on the RATE, FRACTION, or PERCENT entry.
When RATE, FRACTION, or PERCENT is given, the values or tag

data entered for each component represent compositions and must
sum to 1.00+/-0.01 (fractions), 100+/-1 (percent), or RATE+/-1%.
Alternatively, the NORMALIZE keyword may be used to adjust the
values to the desired rate.
If MATCH is given, the values or tag data are adjusted by a

constant factor so that the lightends flowrate matches the low-
boiling portion of the TBP curve.

If NOMATCH is given, the values or tag data are the actual flowing
amounts.
i Component number. When omitted, “i” defaults to the
next component number in sequence. If none of the
components have “i” entries, the first value entry
applies to component 1.
value The rate or composition of component “i”.
compitag The composition measurement tag of component “i”.
RATE Optional. If used, this entry, supplied as a value or as a tag, defines
the total lightends rate on a mole (M - default), weight (WT), liquid
volume (LV), or gas volume (GV) basis. The basis may be different
from the COMPOSITION basis.
FRACTION or Optional. If used, this entry, supplied as a value or as a tag, defines
PERCENT the total lightends rate as a fraction or percent of the total stream
fluid rate. The basis may be either weight (WT) or liquid volume
(LV) basis. The basis may be different from the COMPOSITION
basis. The entry on the PROPERTY statement.
Unit Operations
Enter Unit Operating parameters as Tags using the Define construct:
DEFINE <property> AS value or ##partag##
or
DEFINE <property> AS <unit type>=uid, <property 1>, <operator>, value or
##partag##
DEFINE <property> AS STREAM=sid, <property 1>, <operator>, value
or ##partag##
The DEFINE statement adjusts unit operation parameters directly within the desired unit
operation. Because of this ability, it is also the way PRO/II imports Tag Data into unit
operations.
<property> Any <property> shown in Tables 10.3-2 A-B and
10.3-3 A-H & J as accessible to DEFINE statements.
<unit type> and Any <reference> property shown in Table 10.3-3 A-
<property 1> H and J. (See update to Chapter 10.3 in this
manual.)
<stream id> and Any <reference> property shown in Table 10.3-2 A-
<property 1> B. (See update to Chapter 10.3 in this manual.)
<operator> Any <operator> shown in table below.
Value A numeric value
Partag Tag name as it appears in the Tag File to be
accessed.

Table 21.2-1
OPERATOR FUNCTIONS
<operator> function
PLUS, SUM, ADD <property 1> + < value or partag>
MINUS, DIFF, SUBT <property 1> - < value or partag>
TIMES, MULTIPLY <property 1> * < value or partag>
DIVIDE, RATIO, OVER <property 1> / < value or partag>
none <property 1> (Use <property 1> unmodified)
Examples
1: Mix two feed streams and perform an isothermal flash to create the column feed stream
FD1.
TITLE TAGFILE=COLUMND2.RAW
DIME PRES=PSIG, LIQVOL=BBL, VAPVOL=MFT3
COMPONENT DATA
LIBID 1,NITROGEN/2,METHANE/3,ETHANE/4,ETHYLENE/5,PROPANE/ &
6, PROPYLEN/7,IBUTANE/8,NBUTANE/9,T2BUTENE/10,IBUTENE/ &
11,C2BUTNEN/12,IPENTANE/13,13BD/14,PENTANTE/15,2M2BUTEN
THERMODYNAMIC DATA
METHOD SYSTEM=GS
STREAM DATA
PROP STREAM=S1, TEMP=79, PRES=100, RATE(GV)=##RT1##, &
COMP=1,0.28/2,1.35/3,4.03/4,0.02/5,19.09/6,0.01/7,14.73/8,38.39/ &
9,0.01/10,1.02/12,9.82/14,10.17/15,0.4, NORMALIZE
PROP STREAM=P4, TEMP=##TIP4##, PRES=100, &
RATE(LV)=##RTP4##, ASSAY=LV
D86 STREAM=P4, DATA=0,##IP4##,/10,##10P4##/20,##20P4##/ &
50,##50P4##/90,##90P4##/100,##EP4##
API STREAM=P4, AVERAGE=76
LIGHTEND STREAM=P4, COMP=7,0.09/8,7.58/9,0.13/12,20.63/ &
14,25.63, PERCENT(LV)=10
UNIT OPERATIONS
FLASH UID=FL1
FEED S1, P4
PROD FD1
ISOTHERMAL
DEFINE TEMP AS ##TEMPFD1##
DEFINE PRES AS STREAM=S1, MINUS, ##DPFD1##
END
This example demonstrates the use of tag data for stream data, assay data and unit
operating data.

Index
Air cooled heat exchanger, 527 refinery inspection properties, 264
general information, 527 Broyden approximation method, 609
parameters, 528 Bypasses, 297
Analyses, 63 cake, 629, 635
Assay stream data Calculator
examples, 103 examples, 693
multiple assay blends, 104 FORTRAN statements, 686
special refinery properties, 79, 90 general information, 682
ASTM distillation, 91 intrinsic functions, 687
Binary interaction data, 74 language elements, 684
azeotropic data for binaries, 76 Calculator procedure
Benedict-Webb-Rubin-Starling, 74 FORFORTRAN GOTO/IF/DO,
Flory-Huggins, 76 691
Hayden-O'Connell, 74 FORTRAN GOTO/IF/DO, 690
ideal basis, 76 FORTRAN STOP/RETURN, 691,
IDIMER, 74 693
infinite dilution activity coefficient, stream property storage, 688
76 Calculator setup, 682
Lee-Kesler-Plocker, 74 assign constants, 683
Margules, 75 data retrieval, 683
mutual solubility, 76 dimension arrays, 682
NRTL, 75 results labelling, 684
Peng-Robinson, 74 stream sequencing, 683
Redlich-Kister, 74 Case study, 789
Soave-Redlich-Kwong, 74 calculation options, 799
UNIQUAC, 75 example, 806
Van Laar, 75 general information, 791
Wilson, 75 identifier, 35
Binary VLE/VLLE data, 725 initial case, 792
calculation points specifications, interactive change, 184
726 modifying parameters, 789, 793
evaluation conditions, 726 modifying parameters, CHANGE,
examples, 727 184
execution after flowsheet, 725 pamameter statement, 802
general information, 725 parametric studies, 789
plot, 727 cave, 343
valid K-value methods, 727 cestimate, 65
Blend unit Chemdist distillation algorithm, 347
calculation options, 263, 269 column parameters, 350, 352
component data, 263, 269 composition dampin g factor,
examples, 264, 270 DAMP, 352
INDEX 945
examples, 358 invariant properties and constants,
homotopy analysis, 350, 358 54
limitations, 352 invariant special properties, 55
Naphtali-Sandholm algorithm, 351 temperature dependent
performance specifications, properties, 55
general, 356 Component property reporter
plotting results, 350 component data, 267
print options, 350 general information, 267
products, 353 composition damping factor, 329,
testing for VLLE, 356 462
thermodyanamic set selection, Compressor
351 aftercooler, 244
three-phase (VLLE) calculations, efficiency, adiabatic, 241, 243
352 efficiency, polytropic, 241, 243
tray efficiencies, 351, 356 examples, 245
chemicals distillation algorithm, 347 fan laws, 242
cial refinery properties general information, 240
kinematic viscosity, 101 parameter definition, DEFINES,
Column Feeds, 287 244
Column Heat, 296 performance curves, 243
Column hydraulics, 391 performance specifications, 241
Packed column hyraulics. See thermodynamic set selection, 245
Tray column hydraulics. also see work, 243
Column Merging, 327, 458, 460 Condenser, 284
Column Parameters, 286, 312 Condenser Type, 290
Column Products, 288 continuous stirred tank reactor, 601
Column Pseudo Products, 290 Conversion reactor
Component data Reactor, conversion and
component properties, 57 equilibrium. See
examples, 58 Countercurrent decanter
general information, 56 examples, 645
non-library components, 56 general information, 642
notes, 58 operating conditions, 644
petroleum components, 53, 57 parameter definition, DEFINES,
PRO/II component library, 56 641
solid components, 57 rating or design, 643
UNIFAC structural data, 57 thermodynamic set selection, 644
Component Lumping Creating Case Study, 801
examples, 737 Crystallizer
general information, 735 additional printout, 656
lumping conditions, 736 crystal characteristics, 656
thermodynamic set selection, 736 crystal growth, 657
Component properties, 54 crystal nucleation, 657
blend unit, 263, 269 examples, 659
checking, 40 general information, 654
operating conditions, 655

parameter definition, DEFINES, Dimension statement, 23
658 Dimensional units
rating or design, 656 basis, 31
thermodynamic set selection, 658 density, 27
CSTR, 601 dipole moment, 31
Procedure data. See energy, 27
Cyclone fouling coefficient, 28
American Petroleum Institute fraction, 32
method, 670 heat capacity, 28
examples, 678 heat exchanger configuration, 28
general information, 669 heat transfer coefficient, 28
IPARM inputs, 671 kinematic viscosity, 31
Koch and Licht method, 670 mass flow rate, 29
Lapple method, 669 phase designators, 32
operating conditions, 671 pressure or DP, 25
RPARM inputs, 675 specific enthalpy, 27
RPARM outputs, 676 surface tension, 31
thermodynamic set selection, 677 temperature or time, 25
using in design mode, 670 thermal conductivity, 31
using in rating mode, 669 time, 25
D1160, 80 viscosity, 31
D2887, 80 volumetric flow rate, 26, 30
D86, 80 weight, 25
Data base files, 48 work, 29
Data sets, 60 Dissolver
Date, 35 examples, 651
DEFINE flowsheet parameters, 177 general information, 648
Density, 72 mass transfer, 650
Depressuring unit, 821 rating or design, 649
calculation options, 822, 826 thermodynamic set selection, 648,
configuration, 821, 824 651
examples, 836 EFACTOR, 308
feeds, 824 English units, 36
final time, 827 Enthalpy, 72
general information, 823 Entropy, 73
heat, 822 equilibrium efficiency, 307
parameter definition, DEFINES, Equilibrium reactor
823, 835 Reactor, conversion and
plot, 823 equilibrium. See
print, 823, 834 Exergy, 34, 50
products, 824 Expander
relief, 822, 827 examples, 249
step time, 827, 828 general information, 247
thermodynamic set selection, 836 parameter definition, DEFINES,
valve, 828 249
vessel, 821, 824 performance specifications, 248
INDEX 947
thermodynamic set selection, 249 examples, 221
EXTRAN property data general information, 217
dimensional units, 732 isentropic, 217, 220
evaluation conditions, 730 isothermal, 217, 220
example, 733 parameter definition, DEFINES,
execution after flowsheet, 730 220
filename specification, 733 performance specifications
thermodynamic set selection, 733 (TPSPEC), 219, 220
Feedback controller, 739 thermodynamic set selection, 221
control parameters or options, 741 three phase (VLLE) calculations,
DEFINE and VARY. See 219
examples, 742 Flowsheet optimizer, 751
iteration level, 741 Broyden update, 760
performance specification, 740 constraints, 756
print options, 742 examples, 762
return unit, 742 general information, 753
stream variables, 741 iteration level (CYCLES), 758
unit variables, 741 line search mode method, 761
use with MIN/MAX constraints, object function, 753
741 objective function, 754
Feedback Controller optimization parameters or
general information, 740 options, 757
Feeds and Products, 331 optimization variables, 754
Filtering centrifuge performance specifications, 757
cake properties, 638 perturbation control, 756
examples, 639 plot, 754
general information, 636 print options, 758
operating conditions, 637 return unit, 758
parameter definition, DEFINES, scaling suppression, 759
638 solution tolerance, 754
rating or design, 636 use with MIN/MAX constraints,
thermodynamic set selection, 639 754
FINE flowsheet parameters variable streams, 755
examples, 180 variable units, 755
reference stream properties, 178 Flowsheets
reference unit operation topology, 139
parameters, 178 unit sequencing, 44
relation to specifications, 177 Flowsheetsrecycles, 140
Flash FZONE, 329
adiabatic, 217, 220 Gear method, 590
bubble, 220 Gibbs reactor, 567
bubble point, 218 adiabatic, 570
dewpoint, 217, 220 approach to equilibrium - overall,
dewpoint - hydrocarbon, 217, 220 575
dewpoint - water, 217, 220 conversion, 575
entrainment, 218 definition of atomic groups, 572

examples, 577 thermodynamic set selection, 489
free energy minimization, 568 three phase (VLLE) calculations,
isothermal operation, 569 496
parameter definition, DEFINES, tube configuration, 496
577 UMAX, 486
solution parameters, 571 utilities, 482
stoichiometry, 577 zones, 480
thermodynamic set selection, 577 Heat exchangers
three phase (VLLE) calculations, fouling layer thickness, tube side,
569 501
Heat exchangers Heat exchangers
Bell-Delaware method, 514 fouling resistance, 501
cocurrent flow, 514 Heat exchangers
countercurrent flow, 514 pressure drop, 501
fouling layer thickness, 506 Heat exchangers
fouling resistance, 506 pressure drop, 501
heat transfer coefficient estimate, Heat exchangers
514 finned tubes, 502
heat transfer coefficient scaling, Heat exchangers
514 nozzles, 503
log-mean-temperature difference, Heat exchangers
515 baffles, 507
pressure drop, 506 Heat exchangers
pressure drop prediction method, nozzles, 509
514 Heat exchangers
tube passes, 498 attached to column, 510
tube patterns, 498 Heat exchangers
Heat exchangers, 477 heat transfer, 514
area, 485 Heat exchangers
attached to column, 478, 483, zones analysis, 515
484, 495 Heat exchangers
cocurrent flow, 485 parameter definition, DEFINES,
countercurrent flow, 485 516
examples, 489 Heat exchangers
HXRIG, 493 thermodynamic set selection, 516
LMTD correction factor, 486 Heat exchangers
maximum UA specification, 486 examples, 516
parameter definition, DEFINES, Heat exchangers
488 LNGHX, 519
performance specifications, 478 Heat exchangers
perfromance specifications, 486 performance specifications, 521
plot, 480, 496 Heat exchangers
pressure drop, 482 hot and cold cells, 522
rigorous rating, HXRIG, 493 Heat exchangers
shell passes, 485 plot, 524
simple model, HX, 477 Heat exchangers
INDEX 949
parameter definition, DEFINES, limitations, 384
524 performance specifications, 379
Heat exchangers plotting results, 380
thermodynamic set selection, 525 thermosiphon reboilers, 383
Heat exchangers Inside-Out algorithm, 321, 454
examples, 525 Interactive execution, 809
Heating-Cooling curves change, 811, 812, 818
adiabatic curves, 712 commands, 810
bubble point curves, 712 set, 810
dew point curves, 712 view, 812
evaluation conditions, 711 internal stream property, 304
examples, 716 K-value data
isothermal curves, 712 data statement, 73
plot, 709, 711 Liquid-liquid extraction, 433
print options, 714 column parameters, 435, 443
thermodynamic set selection, 716 conventions, 435
with column, 712 examples, 444
with flash, 712 feeds and products, 436
Heating-Cooling curves. See heat loss/gain, 438
HCURVE initial estimate generator, IEG,
Heating-Cooling curves 439
general information, 710 performance specifications, 440
HETP, 405 plotting results, 442
HEXTRAN property data, 729 print options, 441
general information, 729 pseudo products, 437
Homotopy Analysis, 345 side heater/cooler, 437
HVARYFLAG, 309 specification variables, 441
Hydrates stage pressure, 438
calculation points specifications, thermodynamic set selection, 444
721 tolerances, 443
evaluation conditions, 721 user-supplied profile estimates,
example, 722 439
free water assumption, 721 LMTD, 479
general information, 721 LNGHX
hydrate inhibitors, 722 Heat exchangers. See
possible hydrate formers, 721 Mass balance, 48
Hydraulics Calculations Melter/Freezer
Tray and packing, 313 examples, 665
Individual dimensional unit general information, 662
qualifiers, 23 operating conditions, 663
Initial Estimate Generator, 299 parameter definition, DEFINES,
Initial Estimates, 327 665
Inside/out distillation algorithm, 377 thermodynamic set selection, 665
column merging, 383 Membrane separator
column parameters, 380, 384 RPARM inputs, 680
flash zone, 381 Membrane Separator

general information, 679 user-defined format, 84, 120, 126
Metric units, 36 Packed column hydraulics, 391
Mixer flooding factor, 414
examples, 233 Norton pressure drop calculations,
general information, 231 404
parameter definition, DEFINES, pressure profiles, 404
232 rating, 404, 413
performance specifications, 232 required data, 405, 414
product streams, 232 restrictions, 415
thermodynamic set selection, 232 sizing, 402
Multi-variable controller Sulzer packing, 413, 417
general information, 746 theoretical stages, 405, 413
plot, 746 Performance Specifications, 302,
print options, 748 334, 470
return unit, 748 Performing Homotopy Analysis,
Multi-variable controller (MVC) 308, 334, 470
examples, 749 Phase envelope
Multi-variable controller (MVC), 745 claculation points specifications,
Multi-Variable controller (MVC) 718
control parameters or options, 748 constant liquid fraction curve, 718
iteration level (CYCLES), 748 equations of state allowed, 717
performance specifications, 746 evaluation conditions, 718
scaling factor, 747 examples, 719
stream variables, 747 general information, 717
unit variables, 747 plot, 717, 718
Murphree tray efficiency, 306 thermodynamic set selection, 719
Naphtali-Sandholm algorithm, 351 Pipe, 251
Newton-Raphson convergence, 341 configuration data, 254
objective, 66 examples, 260
Objective Function Use, 67 general information, 252
Ouput line sizing, 258
ASTM and TBP reports, 47 Moody friction factor, 255, 592
Outdimension statement, 23 parameter definition, DEFINES,
Output 259
calculational path, 48 pressure drop, correlations, 252
chemical processing format, 84, roughness, absolute, 255, 260,
121 592
component basis, 46 roughness, relative, 255, 592
CPU time, 48 thermodynamic set selection, 259
gas processing format, 84, 120 three phase (VLLE) calculations,
mass balance, 48 253
print options, 46 total resistance coefficient,
refinery format, 121 KFACTOR, 254, 258
scaling, 34 unit operation cross-referencing,
stream properties, 47 156
stream report writer, 119 Plotting Results, 311
INDEX 951
Plugflow reactor restrictions, 363
general information, 583 tray volume definition, 361, 365
Procedure data. See two-phase reactors, 368
preexponential frequency factor, Reactor, conversion and equilibrium
604 general information, 558
Print Options, 309 Reactor, conversion and equilibrium
Procedure data, 187 adiabatic operation, 548
FORTRAN intrinsic functions, 194, conversion specification, 550
196 equilibrium specification, 550, 551
intrinsic functions, 196 examples, 553
predefined variables, 189 general information, 546
Process Tag/Raw Data Files, 933 generalized, shift, methanation,
comments, 933 545, 557
entering date, 933 isothermal operation, 547, 548
entering tags, 933 parameter definition, DEFINES,
example, 934 553
input file, 934 simultaneous conversion
tag file, 934 reactions, 546
Products, 344 suppression of heat balance, 548
Pump thermodynamic set selection, 553
efficiency, 226 three phase (VLLE) calculations,
examples, 227 547
general information, 225 Reactor, conversion and equilibrium
parameter definition, DEFINES, three phase (VLLE) calculations,
226 559
performance specifications, 226 Reactor, conversion and equilibrium
thermodynamic set selection, 227 adiabatic operation, 559
Pumparounds, 297 Reactor, conversion and equilibrium
Reaction data, 203 isothermal operation, 559
defining a reaction set, 205 Reactor, conversion and equilibrium
identifying a reaction, 206 error handling, 561
stoichiometry, 207 Reactor, conversion and equilibrium
Reactive distillation, 361 heat of reaction, 561
assigning reaction sets, 364 Reactor, conversion and equilibrium
boiling pot reactor, 368 conversion specification, 562
defining a local reaction, 369 Reactor, conversion and equilibrium
defining a local reaction set, 369 parameter definition, DEFINES,
defining conversion data, 371 563
examples, 372 Reactor, conversion and equilibrium
homotopy analysis, 367 thermodynamic set selection, 564
kinetic and equilibrium reaction Reactor, conversion and equilibrium
data, 371 examples, 564
polymer components, 367 Reboiler, 285, 293
reaction conversion data, 362 Recycle, 771
reaction parameters, 365, 366, acceleration, 773, 775
369

acceleration parameters or Rotary drum filter
options, 775 cake properties, 631
Broyden acceleration method, 774 examples, 633
columns with attached heat general information, 630
exchangers, 773 operating conditions, 631
columns with sidestrippers, 773 parameter definition, DEFINES,
convergence tolerance, 39 633
default tolerances, 777 rating or design, 630
examples, 777 sphericity, 632
general information, 771 thermodynamic set selection, 633
iteration level, 772 Runge-Kutta method, 590
loop definition, 776 RVP
mass and energy recycles, 771 Reid vapor pressure. see
stream selection, 42 Scaling
stream tolerances, 773 output, 34, 43
thermal recycle loops, 772 unit operations not scaled, 43
thermal recycles, 772 Shortcut distillation algorithm, 423
trials, 773 calculation models, 427
user-defined recycle sequence, column models, 424
776 condensers, 426
Wegstein acceleration method, examples, 428
773, 776 feeds and products, 425
reflux, 305 Fenske calculations, 424
reflux ratio, 305 Gilliland correlation, 424
Regress key component identification, 427
data sets, 59 minimum reflux, RRMIN, MMMIN,
Regression (REGRESS) 427
REGRESS User Guide. See minimum tray requirements,
Reid vapor pressure FINDEX, 427
basis, 39 specifications, 428
Reset unit thermodynamic set selection, 428
examples, 266 Side Columns, 341
general information, 265 Side heater/coolers, 285
thermodynamic set selection, 265 siderectifier, 285
Restart, 779 sidestrippers, 285
calculation options, 783 Simple heat exchanger
case identification, 781, 783, 784 Heat exchangers. See
case study, 784 Solid components
examples, 785 attributes, 115
general information, 781 examples, 116
input file, 781 particle size distribution (PSD),
new file, 781, 782 113
old file, 781 particle size distribution, PSD, 115
report, 784 solid attributes, 113
resume, 783 Solid-liquid equilibrium (SLE), 71
rigorous distillation algorithms, 283 Solids dryer
INDEX 953
examples, 628 Standard vapor conditions, 38
general information, 624 STCALC, 699
moisture content, 626 Stream
operating conditions, 623 assay, 79, 89, 103
parameter definition, DEFINES, comments, 135
624 component flowrates, 83
thermodynamic set selection, 624 distillation data, 80
Solids separator examples, 88, 103, 135
general information, 667 gravity data, 80, 95
operating conditions, 668 identification, 82
thermodynamic set selection, 668 lightend, 80
Solids unit operations, 621 molecular weight, 80
countercurrent decanter, 641 name, 81, 120
crystallizer, 653 notes, 120
dissolver, 647 number, 82, 121
filtering centrifuge, 635 output format, 82, 84, 119
melter/freezer, 661 particle size distribution, PSD, 81
rotary drum filter, 629 property, 79
solids dryer, 623, 624 reference stream, 81
solids separator, 667 special properties, 80
Special properties thermal data, 83
user-defined, SPROP, 81 with solids, 81
Special refinery properties Stream calculator
printing, 120 general information, 699
Specification Variables, 305 Stream calculator, STCALC
Specifications, 169 calculation options, 705
automatic referencing, 172 examples, 707
column property, 171 feed blending, 701
degrees of freedom, 170 parameter definition, DEFINES,
examples, 174 706
operator entry, 172 stream splitting products, 701
primary and reference entries, 171 stream splitting specifications, 702
stream property, 171 stream synthesis products, 703
tolerances, 43 stream synthesis specifications,
VALUE entry, 173 705
Speical properties thermodynamic set selection, 707
kinematic viscosity, 81 Stream documentation
Splitter Stream, output format. See
examples, 238 supercede, 287
general information, 236 SURE algorithm, 337
parameter definition, DEFINES, Tag data input requirements, 935
237 assay data, 940
performance specification, 237 component data, 937
performance specifications, 170 distillation data, 940
split specifications, 236 gravity data, 941
thermodynamic set selection, 238 lightends data, 942

stream data, 938 Tray Pressure, 298
TBP Cutpoint Specification, 334, True vapor pressure
470 basis, 39
TBP distillation property, 80, 94 Unit operations
Theoretical Stages, 284 calculational sequencing, 40
Thermodynamic input summary, 69 commonly used input features,
alpha formulations, 76 141
binary interaction data, 74 flowsheet topology, 139
fluid thermodyanmic properties, performance specifications, 170
70 summary of units in PRO/II, 141
group interaction data, 76 Upstream unit operation, 837
method selection, 69 calculation options, 837, 840
special refinery properties, 77 constant volume depletion, 838,
transport properties, 69, 70 842
user-added subroutine data, 77 examples, 844
water handling methods, 70 gas oil ratio, 840
Thermodynamic Set, 315 general information, 838
Thermosiphon Reboiler, 331, 467 liquid dropout, 837, 841
Thermosiphon Reboilers, 328, 460 mode specific input, 843
Three-phase Distillation, 342 relative volume, 838, 841
Tolerance stream selector, 840
enthalpy, 314 User-supplied Profile Estimates, 300
equilibrium, 314 User-Supplied Profile Estimates,
Tolerances, 313 333
column calculations, 41 Valve
performance specifications, 173 examples, 230
recycle convergence, 42 general information, 229
Tray column hydraulics, 391 parameter definition, DEFINES,
diameter, 397 230
examples, 402 performance specifications, 230
Fair seive tray calculations, 394 thermodynamic set selection, 230
flooding factor, FF, 397 van't Hoff method, 655
Glitsch valve tray calculations, vaporization efficiency, 306
394 VARY flowsheet parameters, 181
keyword summary, 391 column, 184
sizing and rating, 394 examples, 185
tray rating, 398 flowsheet optimizer, 183
tray spacing, 395 liquid-liquid extractors, 184
tray thickness, 398 multi-variable controller, 183
Tray Efficiencies, 306 Water-hydrocarbon systems, 285
Tray numbers, 283
INDEX 955

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PRO/II 8.

Printed in the United States of America. June 2006

3 – INPUT CONVENTIONS .................................................................................11

4 – DIMENSIONAL UNITS ..................................................................................23

6 – COMPONENT DATA .....................................................................................53

8 – THERMODYNAMIC KEYWORD SUMMARY ...............................................69

9 – STREAM DATA .............................................................................................79

9.1 – STREAMS WITH DEFINED COMPOSITION .............................................85

9.2 – STREAMS WITH ASSAY DATA ................................................................89

9.3 – REFERENCE STREAMS .........................................................................107

9.4 – STREAMS WITH SOLIDS ........................................................................113

9.5 – STREAM DOCUMENTATION ..................................................................119

10 – UNIT OPERATIONS ..................................................................................137

10.1 – FLOWSHEET TOPOLOGY ....................................................................139

10.2 – UNIT OPERATION INPUT .....................................................................141

10.3 – FLOWSHEET PARAMETERS ...............................................................149

10.4 – SPECS, CONSTRAINTS AND OBJECTIVES .......................................169

10.5 – DEFINE ...................................................................................................177

10.7 – PROCEDURE DATA .............................................................................187

10.8 – REACTION DATA ..................................................................................203

11.1 – FLASH ....................................................................................................215

11.2 – PUMP ......................................................................................................225

11.3 – VALVE ....................................................................................................229

11.4 – MIXER .....................................................................................................231

11.5 – SPLITTER ...............................................................................................235

11.6 – COMPRESSOR ......................................................................................239

11.7 – EXPANDER ............................................................................................247

11.8 – PIPE ........................................................................................................251

11.9 – BLEND ....................................................................................................263

11.10 – RESET ..................................................................................................265

11.11 – COMPONENT PROPERTY REPORTER .............................................267

11.12 – CAPE-OPEN .........................................................................................269

12.1 – COLUMN INPUT.....................................................................................274

12.3 – SURE ALGORITHM ...............................................................................337

12.4 – CHEMDIST ALGORITHM ......................................................................347

12.5 – REACTIVE DISTILLATION ....................................................................361

12.6 – ENHANCED IO ALGORITHM ................................................................377

12.7 – COLUMN HYDRAULICS ........................................................................391

12.9 – LIQUID-LIQUID EXTRACTION ..............................................................433

12.10 – RATEFRAC® ALGORITHM ..................................................................447

13.1 – SIMPLE HEAT EXCHANGER ................................................................477

13.2 – RIGOROUS HEAT EXCHANGER..........................................................493

13.3 – LNG HEAT EXCHANGER ......................................................................519

13.4 – AIR COOLED HEAT EXCHANGER.......................................................527

14.1 – EQUILIBRIUM REACTOR .....................................................................545

14.2 – CONVERSION REACTOR .....................................................................557

14.3 – GIBBS REACTOR ..................................................................................567

14.4 – PLUG FLOW REACTOR ........................................................................581

14.5 – CSTR ......................................................................................................601

14.6 – POLYMER ELECTROLYTE FUEL CELL .............................................617

15.1 – SOLIDS DRYER .....................................................................................623

15.2 – ROTARY DRUM FILTER .......................................................................629

15.3 – FILTERING CENTRIFUGE .....................................................................635

15.4 – COUNTER CURRENT DECANTER.......................................................641

15.5 – DISSOLVER ...........................................................................................647

15.6 – CRYSTALLIZER .....................................................................................653

15.7 – MELTER / FREEZER..............................................................................660

15.8 – SOLIDS SEPARATOR ...........................................................................666

15.10 – MEMBRANE SEPARATOR .................................................................679