Batch Module User Guide
Batch Module User Guide
No part of this documentation shall be reproduced, stored in a ret rieval system, or transmitted by any
means, electronic, mechanical, photocopying, rec ording, or otherwise, without the prior written
permission of AVEVA. No liability is assumed with respect to the use of the information contained herein.
Although precaution has been taken in the preparation of this documentation, AVE VA assumes no
responsibility for errors or omissions. The information in this documentation is subject to change without
notice and does not represent a commitment on the part of AVEVA. The soft ware described in this
documentation is furnished under a lice nse agreement. This soft ware may be used or copied only in
accordance with the terms of such license agreement.
ArchestrA, Aquis, Avantis, DYNS IM, eDNA, EYESIM, InBatch, InduSoft, InStep, IntelaTrac, InTouch,
PIPEPHASE, PRiSM, PRO/II, PROV IS ION, ROMeo, SIM4ME, SimCentral, SimSci, Skelta,
SmartGlance, Spiral Software, Termis, WindowMaker, WindowViewer, and Wonderware are trademarks
of AVEVA and/or its subsidiaries. An extensive listing of AVEVA trademarks can be found at:
https://sw.aveva.com/legal. All other brands may be trademarks of their respective owners.
Publication date: 10/9/2018
Contact Information
AVEVA Group plc
High Cross
Madingley Road
Cambridge
CB3 OHB. UK
https://sw.aveva.com/
For information on how to cont act sales, customer training, and technical support, see
https://sw.aveva.com/contact.
PRO/IITM Process Engineering Batch Module User Guide
Contents
Contact Information.................................................................................................................. 3
Chapter 1 Overview of the Batch Module .......................................................................... 7
Batch Reactor........................................................................................................................... 7
Batch Distillation ....................................................................................................................... 8
Hardware and Software Requirements ....................................................................................... 9
Glossary of Terms ..................................................................................................................... 9
Disk Space Requirements ....................................................................................................... 9
5
PRO/IITM Process Engineering Batch Module User Guide Contents
6
PRO/IITM Process Engineering Batch Module User Guide
C HAPTER 1
Overview of the Batch Module
This chapter introduces the two batch unit operations: Batch Reactor and Batch Distillation. A glossary of
terms is also provided. Batch distillation now is available as a standard P RO/II unit operation. Refer to
Chapter 19.3, "Batch Distillation", in the PRO/ II Key word Manual.
In This Chapter
Batch Reactor ................................................................................................................................ 7
Batch Distillation ............................................................................................................................. 8
Hardware and Software Requirements ............................................................................................. 9
Glossary of Terms .......................................................................................................................... 9
Disk Space Requirements ............................................................................................................. 9
Batch Reactor
Figure : Schematic of a Batch Reactor
F1
P1
F2 Q
...
P2
Fn
7
PRO/IITM Process Engineering Batch Module User Guide Overview of the Batch Module
Batch reaction analysis for P RO/II is available as an add -on module to the standard release. The batch
reactor unit operation allows for the calculation of material production as a result of simultaneous and/or
sequential reactions in the liquid contents of a reactor vessel. Phase-equilibrium analysis during the
reaction process allows for the tracking or removal of vapor-phase products at the end of the cycle. The
unit may be run in a true batch simulation mode, with the feeds charged to the reactor vessel at the start
of the cycle and product taken from the vessel at the end of the cycle, or in a semi -batch mode where
feeds may be introduced throughout the cycle. Batch reactor calculations may also be integrated i nto a
steady-state process simulation. The unit configuration automatically considers the presence of holding
tanks for steady-flow streams to provide the time-variant feeds to the batch unit. Implicit holding tanks are
also considered for the product streams to provide a coupling of the time -variant process to the
continuous process simulation environment. A represent ation of the product steady -flow stream comes
from an overall cycle time average of the quantity accumulated into a given product.
Batch Distillation
Figure: Schematic of a Batch Column
This unit operation allows for a wide range of column operating scenarios. The unit may be run in a true
batch simulation mode, with the feedstock charged to the still pot prior to distilling and products taken
from the accumulator at various times, or in a semi-batch mode where feedstock may be introduced
during the distillation process and products may be drawn from the column or accumulator over some
time interval.
Batch distillation calculations may also be integrated into a steady -state process simulation. Holding
tanks are implicit between batch charges and the continuous flowsheet streams that provide the
feedstock for the charges. An average feedstock flow may be calculated from the c harge amount divided
by the batch cycle time, but there will be no reconciliation of this average feedstock flow wit h the rate of
the continuous flowsheet stream. Similarly, there is an implicit holding tank between each batch product
and the corresponding continuous flows heet stream. The rate of each continuous product stream will be
set equal to the product amount divided by the batch cycle time.
8
Overview of the Batch Module PRO/IITM Process Engineering Batch Module User Guide
Glossary of Terms
Accumulator A vessel to hold the liquid product taken from the
condenser but not refluxed back into the column.
Cuts are periodically taken from the
accumulator.
Heating/Cooling Within the batch reactor, heating and cooling actions are
Actions effectively the same action - an adjustment in the temperature
of the vessel contents. If a utility fluid is to be used for the
action, the fluid type and requested direction of the
temperature change determine the feasibility of the action.
Within the batch distillation unit, heating occurs in the still pot
and cooling in the condenser.
9
PRO/IITM Process Engineering Batch Module User Guide Overview of the Batch Module
10
PRO/IITM Process Engineering Batch Module User Guide
C HAPTER 2
Batch Distillation
In This Chapter
Overview...................................................................................................................................... 11
Feeds and Products ...................................................................................................................... 12
Initial Pressure Profile ................................................................................................................... 12
Condenser ................................................................................................................................... 13
Liquid Holdup ............................................................................................................................... 14
Global Stop Crit eria....................................................................................................................... 14
Operating Policy ........................................................................................................................... 14
Calculation Options ....................................................................................................................... 15
Print Options and Report Definitions .............................................................................................. 15
Thermodynamic Options ............................................................................................................... 16
Reboiler Options ........................................................................................................................... 16
Overview
Batch distillation now is available as a standard PRO/ II unit operation. Chapt er 19.3, "Batch Distillation"
in the PRO/II Keyword Manual, is the primary documentation that provides an extended discussion of all
the features offered by this model. Additionally, see Chapter 19.4, "BATCHFRAC Algorithm" (also in the
Keyword Manual) for an alternative unit operation that simulates batch distillation using a rate -based
algorithm.
The main Batch Distillation dialog box is shown in the following figure.
Figure: Batch Distillation Dialog Box
11
PRO/IITM Process Engineering Batch Module User Guide Batch Distillation
This chapter presents only the briefest overview as a preliminary introduction to this unit operation. The
features introduced here are a very incomplete list of the extensive controls available to the user.
The batch distillation unit simulates a batch rectifier comprising a still pot, column, condenser, and
accumulator. Only vapor-liquid separation may be modeled. The still pot, the column trays, and the
condenser are all theoretical stages. There is no limit to the number of stages that may be considered in
a batch distillation model, although at least two stages must be specified. The stages are considered
linked, with the equilibrium vapor from eac h stage ent ering the next higher stage and the equilibrium
liquid from each stage feeding the next lower stage. The condenser is always designated as stage
number one, and the still pot is always assigned the highest stage number.
The following must be supplied for the batch column:
1. Number of theoretical stages
2. Maximum simulation time: When the calculated time reaches this value, all calculations will stop.
Note this is the simulated distillation time and not the elapsed computer time.
NOTE: If you change the number of stages in the unit, you must redefine all data that refer to specific
stage numbers including pressure or liquid holdup profiles, output reports, and segment start or stop
conditions.
12
Batch Distillation PRO/IITM Process Engineering Batch Module User Guide
Condenser
The condenser for the batch distillation units is always stage one. It supports VLLE calculations, while all
other stages in the column are restricted to VLE only.
Note: The condenser is always defined as stage one even though it does not function as an e quilibrium
stage for sub-cooled condensers.
The "Calc ulated condenser" drop-down list box in the Batch Distillation Condenser dialog window
controls whether the condenser performs VLE (the default) or VLLE calculations. See "Thermodynamic
Options" for assigning an appropriate thermody namic method set to a VLLE condenser.
All additional condenser configuration is accomplished in the Batch Distillation Condens er dialog box
illustrated in the following figure. Access this dialog by clicking the Condenser button on the batch unit
icon in the Batch Distillation dialog box.
E very condenser type must have a liquid product.The type of condenser is selected with the appropriate
radio button:
Bubble Temperature.
Partial.
Mixed.
Subcooled, Fixed Temperature.
Sub-cooled, Fixed Temperature Drop
Figure : Condenser Configuration Dialog
Additionally, the condenser supports a simple heat exchanger model that can be used to model the heat
transfer of the condenser. Click the HX Configuration button in the Condenser dialog opens the dialog
shown in the following figure.
13
PRO/IITM Process Engineering Batch Module User Guide Batch Distillation
Liquid Holdup
The liquid holdup must be defined for the condenser and for all column trays in the Batch Di stillation
Liquid Holdup dialog box. This dialog box is accessed by clicking Liquid Holdup... in the Batch
Di stillation dialog box. Liquid holdup may be defined overall or separat ely for each column tray.
If the liquid holdup is defined on an overall basis, then both the condens er and the total tray holdup must
be provided. The overall holdup may be provided on a molar, wei ght, or liquid volume basis.
If the holdup is specified by individual stages, then the liquid holdup (on a molar, weight, or liquid volume
basis) must be supplied at least for the condenser and for the tray above the stillpot (stage N-1).
Operating Policy
The backbone of the operating policy is a series of sequential policy segments that run in the ord er in
which they appear in the Overall Operating Policy grid in the Batch Distillation dialog box. The Overall
Operating Policy grid contains the following elements:
Identifier: The policy segment identifier may be up to 12 characters and must be unique. A default
identifier is supplied (P nnn, where nnn is a number starting from 001).
14
Batch Distillation PRO/IITM Process Engineering Batch Module User Guide
Initiation Type: Each policy segment must be defined as Sequential or Non-sequential. The main
calculation is a series of sequential segments. Non-sequential segments run in parallel to the
sequential calculation in order to define additional charges, draws, or cont rol actions (with their own
starting and stopping criteria).
Segments: The policy segment actions are defined by clicking Enter Data..., which accesses the
Batch Distillation P olicy Segment dialog box. Each row of t he Operating Policy represents one policy
segment. The segment may consist of common items such as:
o Charge.
o Distill.
o Run Until.
o End Cut.
o Draw.
o Cont rol.
There may also be items which break or parallel the basic sequential structure, such as:
o Start.
and
o Go To (define the next segment to be run).
Note: The first policy segment must include the initial charge to the stillpot.
Calculation Options
Only one int egration/calculation option is available in this release. Attributes for this option can be
specified in the Batch Distillation Calculation Options dialog box. This dialog box is accessed by clicking
Calculation Options in the Batch Distillation dialog box. The integration met hod is the Semi -Implicit
Trapezoidal.
Integration step sizes and tolerances are specified in this dialog box:
Tolerance (default 0.001).
Maximum Step Size (default 0.1 hr).
You can specify the type of liquid-density calculation specified as either Rigorous (the default) or
Shortcut. You can also enter the calculation int erval for the enthalpy balance. For a Shortcut
liquid-density calculation, the default reference temperature is 77°F.
Note: For reporting purposes only, components are arranged and reported in order of increasing
volatility. This may differ from the order in which the components were entered during construction of the
simulation.
15
PRO/IITM Process Engineering Batch Module User Guide Batch Distillation
Thermodynamic Options
The batch distillation model simulates VLLE systems only in the condenser. All other trays support only
VLE equilibria, so any VLLE condenser must use a thermodynamic method set different from the other
stages. These method sets are selected by clic king the Thermodynamic Systems button in the Batch
Di stillation dialog box, which displays the Thermodynamic System s dialog box. It is also possible to
define different thermodynamic systems for individual sections of the unit.
Reboiler Options
Batch distillation supports a simple reboiler model. Click the Reboiler button on the batch still icon in the
Batch Distillation dialog box to add a reboiler. Refer to the following figure. When the Reboiler HX
Configuration check box is checked, other fields on the dialog allow users to specify the effective heat
transfer area, the heat transfer coefficient, and the thermodynamic method set.
NOTE: Only VLE thermody namic method sets are supported by the reboiler.
16
PRO/IITM Process Engineering Batch Module User Guide
C HAPTER 3
Batch Reactor
In This Chapter
Overview...................................................................................................................................... 17
Feeds and Products ...................................................................................................................... 18
Thermodynamic Options ............................................................................................................... 18
Calculation Options ....................................................................................................................... 18
Utility Fluids.................................................................................................................................. 18
Global Stop Crit eria....................................................................................................................... 18
Operating Policy ........................................................................................................................... 19
Print Options and Reports ............................................................................................................. 19
Overview
The Batch Reactor unit operation simulates the operation of a batch or semi-batch reactor by solving the
transient heat and material balances based on supplied reaction stoichiometry and kinetic data. The
batch cycle ends when the last of its policy segments ends, when no policy segment is active, when a
discharge action is initiated, or when a global end condition is met. This global end condition overrides
any ending conditions set up by the policy actions.
The reaction stoichiometry must be defined in the Reaction Data Sets dialog box before the reactor
performance can be specified. S ee Chapter 8, Using PRO/ II Data Ent ry Windows (Reaction Data), of the
PRO/II User’s Guide for information on specifying reaction sets. Kinetic data may be entered in the
Reaction Dat a Sets dialog box or in the Batch Reactor dialog box itself.
Figure: Batch Reactor Dialog Box
17
PRO/IITM Process Engineering Batch Module User Guide Batch Reactor
NOTE: A ny data ent ered in the Reaction Data Sets dialog box will be passed to the Batch Reactor and
used as default values. Reaction data entered in the Batch Reactor overrides data entered in the
reaction set for that unit only.
Currently, the Batch Reactor supports only liquid -phase reactions. A reaction may produce one or more
vapor constituents. Whether the vapor constituent(s ) will return to the liquid phase and again be available
for reaction(s) will be determined by equilibrium analysis done at the end of each time step.
The following must be also be supplied for the Batch Reactor:
Reaction set.
Maximum batch time.
When the batch cycle time reaches this value, all calculations stop. Note that this is the simulated
reaction time from the start of the batch cycle of this unit, not the elapsed computer time.
Thermodynamic Options
The thermodynamic system for the unit is selected by using the Thermodynamic System drop-down list
in the Batch Reactor dialog box. Batch Reactor allows the use of electrolyte thermody namic methods.
Calculation Options
Only one integration/calculation option is available in t his release. Tolerance for this option and tolerance
for equilibrium calculations can be specified in the Batch Reactor Calculation Options dialog box. This
dialog box is accessed by clicking Calculation Options in the Batch Reactor dialog box.
The calculation method used is LSODA (Livermore Solver for Ordinary Differential Equations, Variation
A). By default, the LSODA tolerance is 0.001.
If equilibrium calculation tolerances are specified, these calculations are done only if the change in
temperature, pressure, or concentration between successive time steps is greater than the specified
tolerance. It is recommended that these tolerances be used if the problem uses electrolyte
thermodynamics. By default, equilibrium calculations are done at each time step.
Utility Fluids
To define utility fluids for heating or cooling the batch reactor during any of the policy segments, click
Utility Fluids. You may define as many utilities as you need in the Batch Reactor Utility Fluids dialog
box. The utilities are allocated to reactor heating or cooling actions in the Policy Segment Heat and
Policy Segment Cool dialog boxes.
18
Batch Reactor PRO/IITM Process Engineering Batch Module User Guide
Operating Policy
To define one or more operating policy segments for the unit, use t he Operating Policy grid in the B atch
Reactor dialog box. Each row in this grid represents one policy segment. The policy segment may
consist of several actions, such as:
React Until.
Charge.
Discharge.
Heat.
Cool.
The starting condition for each policy segment must be defined, i.e.:
Time.
Temperat ure.
Fraction (of component (s)).
Percent (of component(s )).
Amount (of component(s ))
NOTE: At least one policy statement must be defined for the Batch Reactor.
Note: For reporting purposes only, components are arranged and reported in order of increasing
volatility. This may differ from the order in which the components were entered during construction of the
simulation.
19
PRO/IITM Process Engineering Batch Module User Guide
C HAPTER 4
Interpreting the Output Reports
In This Chapter
Overview...................................................................................................................................... 21
History Section ............................................................................................................................. 21
Unit Operation Section .................................................................................................................. 21
Additional Output Options .............................................................................................................. 22
Overview
To view results of the batch unit simulations, select Generate Text Report from the Output menu.
NOTE: You can also click the Generate Text Report button on the tool bar to generate the output report.
This action produces an ASCII output report as part of the results file for the entire simulation.
Calculation information specific to the batch units appears in two sections of this output report:
The History section includes reports generated during flowsheet convergence.
The Out put section reports the final results for each individual unit operation.
Note: For reporting purposes only, components are arranged and reported in order of increasing
volatility. This may differ from the order in which the components were entered during construction of the
simulation.
History Section
The history segment information typically gives information about the initiation of a given policy segment
and, if applicable to the particular policy segment, some information about the time integration
operations. This information is also displayed in a Me ssage s dialog box while the simulation is running
and help det ermine whether the time integrations are going astray or whether the integration appears to
be proceeding well.
21
PRO/IITM Process Engineering Batch Module User Guide Interpreting the Output Reports
NOTE: Because of the amount of calculation information that can be generated, you should ex ercise
caution in selecting the level of calculation output.
The default information generat ed is, by design, minimal in order to allow a quick overview of how t he unit
performed in the given simulation. As the performance is analyzed, you may need to examine a
particular property more closely during a time segment to ensure proper unit operation. The additional
output generation print options are designed for this purpose.
22