CHAPTER THREE

PROCESS SIMULATION (PS)

Process Simulation it addressed to developers and users of
simulation software from industry, universities and development
institutes which describes the current situation and presents future
challenges with possible solutions for a future simulation landscape
as part of a networked environment.
Process Simulation is the act of representing some aspects of the
real world by numbers or symbols that may be easily manipulated to
facilitate their study. It is a model-based representation of chemical,
physical, biological, and other technical processes and unit
operations in software
The important steps of process simulation are
Description of the part of the “real world” that needs

to be simulated
Representation of this part of the “real world” in terms

of a model (mathematical or symbolic), and

Finally, solution of the mathematical model to obtain

numbers or symbols
PS as discipline uses mathematical models as basis for analysis,
prediction, testing, detection of a process behaviour unrelated to
whether the process is existing in reality or not. It is a key activity in
Process Engineering covering the whole life cycle of a process, from
Research & Development to Conceptual Design and Plant
Operation. The process characteristics (e.g. flowrates, compositions,
temperatures, pressures, properties, equipment sizes, etc.) are
predicted using analysis techniques. These techniques include
 Mathematical models,
 Empirical correlations and
 Computer-aided process simulation tools (e.g. ASPEN plus).
3.1Purpose of process simulation
 Maximizing production efficiency

 Conserving mass and energy recourses

 Economic production

 Implementation of production with safe-guard to

the environment
 Minimizing the possibility of accidents and hazards

 Testing of a new method production

3.2 Major parts of process simulation
1. Flow sheeting problem
2. Specification problem
3. Optimization problem
4. Synthesis problem
Flow sheeting problem

Given:
 All of the input information

 All of the operating condition

 All of the equipment parameters

To calculate:
 All of the outputs
Specification problem
Given:
 Some input & some output information
 Some operating condition
 Some equipment parameters

To calculate:
 Undefined inputs and outputs
 Undefined operating condition
 Undefined equipment parameters
Optimization problem
The act of finding the best solution (minimize capital costs, energy...
maximize yield) to manage the process (by changing some
parameters, not apparatus). It is a compromise between design
requirements and financial resources.

Optimization problems can be divided into two categories depending

on whether the variables are continuous or discrete. An optimization
problem with discrete variables is known as a discrete optimization.
In a discrete optimization problem, we are looking for an object such
as an integer, permutation or graph from a countable set. Problems
with continuous variables include constrained problems and
Synthesis/Design problem
The act of creation of a new process. It virtually
means invention of a certain process. It can also be
interpreted as the evaluation of pre-existing flowsheet
Given:
inputs (some feeding streams can be added/changed
latter)
Outputs (some byproducts may be unknown)
To find:
 Flowsheet (Topology)
 Equipment Parameters
 Operations Conditions
3.3 Simulation Types

There are two types or methods of simulation

1. Sequential Modular (SM) simulation

2. Equation Oriented (EO) simulation

1 Sequential Modular (SM) simulation characteristics

Modules (self-consistent program) are used representing each

unit. Started as a revolution of computing technology. Closely
follows the process flow sheet and most commonly used in
modern packages.
It uses the common variables or parameters such as:

 Stream flowrates and composition

 Molecular weight and vapor fraction

 Temperature, pressure and enthalpy

 Equipment parameter

Sequential Modular (SM) strategy, Aspen Plus normally runs in a single mode of

operation (simulation). The common situations that must be provided are

- Input stream condition

- Design parameters

- Convergence criteria

 Model inputs and parameters are fixed.

 has no degrees of freedom

 All the other model quantities are calculated

2 Equation Oriented (EO) simulation

All equations be used in a certain unit operation are to be collected

and solved. Only one such program can be used for a single
process. The early simulation program used to be in such form.
For given feed conditions and operating parameters, compute the
products. It can operate in four different modes:-
 Simulation

 Parameter estimation

 Reconciliation

 Optimization
Difference between SM and EO
3.4 Process Simulators
Process simulation software describes processes in flow diagrams where unit

operations are positioned and connected by product or end product streams.

The software has to solve the mass and energy balance to find a stable

operating point. Steady-state and dynamic plant simulation are powerful tools

that help engineers create optimal process designs to analyze plant operations,

to develop performance improvement strategies, monitor and optimize

operations and much more.

Process simulators are available for different industries, purposes, scales and

under different commercial conditions. While some of them are very

expensive, there are as well affordable ones and even a couple of them that are
1 Aspen Plus
Developer: AspenTech, On the market: Commercial

Main Features:
 The most known process simulators in industry and also one of the most expensive

ones.
 It enables a wide range of calculation possibilities for the design, operation, and

optimization of safe, profitable manufacturing facilities.

 It enables the steady-state and dynamic simulation of petrochemical, chemical and

pharmaceutical processes, including non-ideal, electrolytic, and solid systems.

 Mixed solution methodologies can be used to achieve fast calculation and provide

full specification flexibility.

 Leverage modeling investments by scaling from single models to full facility

flowsheets.
2 HYSYS
Developer: AspenTech, On the market: commercial

Main Features:
 Aspen HYSYS, similar to Aspen Plus but dedicated to process simulation

of oil, gas and refining processes.

 It allows using industry-specific unit operation models and powerful tools

to optimize operating parameters for feedstock changes.

 Aspen HYSYS Petroleum Refining now also has a complete suite of

rigorous kinetic models to support all major refinery processes.

 It also includes tools to easily import and export petroleum assays to and

from Aspen products

3 ChemCAD

Developer: Chemstations Inc., On the market: commercial

Main Features:

 Includes libraries of chemical components, thermodynamic methods, and

unit operations to allow steady-state and dynamic simulation of continuous

chemical processes from lab scale to full scale.

 Dynamic process simulation software that takes steady-state simulations to

the next level of fidelity to allow dynamic analysis of flowsheets.

 The possibilities are endless: operability check-out, PID loop tuning,

operator training, even online process control and soft sensor functionality
4 ProSimPlus
It is a process engineering software that performs rigorous mass and energy balance

calculations for a wide range of industrial steady-state processes. It is used in design as well as

in operation of existing plants for process optimization, units troubleshooting or

debottlenecking, plants revamping or performing front-end engineering analysis.

Features

 Powerful thermodynamic package able to model highly non-ideal systems and a wide range

of processes.

 Unique graphical user interface allowing instant usability, convenient drawing of the

flowsheet and quick access to results.

 Open system to expand capabilities (user defined unit operations, Visual Basic scripting,

CAPE-OPEN thermo and unit operation interfaces...).

 Solution widely used by world's leading oil, gas, chemicals and engineering companies.
5 EMSO

Developer: Alsoc Project, On the market: open source

Main Features:

 EMSO is the acronym for Environment for Modeling Simulation and Optimization.

 The ALSOC project develop and maintains specifications of a modeling language

suited for the synthesis, simulation, optimization, and process control of general

processes.

 It is an Equation-Oriented simulator and has a large set of built-in functions.

 It supports static simulation and dynamic simulation.

 Used to model development, simulation execution, and results visualizing.

 It has the ability to use a system of Plugins where the user can embed code written

in C, C++ or FORTRAN into the models

6 MatLAB
 MATLAB (Matrix laboratory) is a multi-paradigm numerical computing

environment and proprietary programming language developed by Math Works.

 Adopting the philosophy that everything is a matrix, MATLAB allows matrix

manipulations, plotting of functions and data, implementation of algorithms, creation

of user interfaces, and interfacing with programs written in other languages,

including C, C++, C#, Java, Fortran and Python.

 Simulation software helps you to predict the behaviour of a system, to evaluate a new

design, diagnose problems with an existing design, and test a system under

conditions that are hard to reproduce, such as a satellite in outer space.

 To run a simulation, you need a mathematical model of your system, which can be

expressed as a block diagram, schematic, state chart, or even code