Chemical Process Simulation

By
Dr. Ch. Kavitha
Syllabus
 UNIT-I Chemical Process Simulation: Introduction, Process simulation
Techniques- sequential, simultaneous and equation oriented approaches,
Partitioning and Tearing, The Flow sheet Simulator. Numerical Methods in
Chemical Engineering: application of numerical techniques to simulate
chemical engineering problems.

 UNIT-II Introduction to Computational Fluid Dynamics: What is CFD,

How does a CFD Code works, problem solving with CFD, Conservation
Laws of Fluid Motion and boundary conditions Governing equations of
fluid flow and heat transfer, Navier Stokes equation. Introduction to CFD
using ANSYS FLUENT software: Basic Concepts and Simulation stepwise
procedure.

 UNIT-III Introduction to MATLAB, MATLAB Scripts, MATLAB Arrays,

Linear models, graphing data in MATLAB, MATLAB Array Math.
Applications of MATLAB: Polynomials, Curve fitting, Linear Algebra,
Solution of Ordinary Differential Equations, Numerical Integration.
 UNIT-IV Simulation Examples of: Heat exchanger, Distillation column, Plug flow
reactor, CSTR. Simulation using Simulink: introduction to Simulink, process
modeling and simulation using Simulink tool, examples of application of Simulink
for modeling chemical processes.

 UNIT-V Aspen simulation: Introduction to ASPEN Properties, thermodynamic

property methods, property estimation of pure component, binary and ternary
mixtures, bubble point and dew point estimation Introduction to ASPEN Plus:
Process flow sheet, Simple Simulation Examples by using Aspen Plus: Flash
column, mixers and splitters, reactors, pipes, pumps and compressors, distillation
columns.

 TEXTBOOKS:
 Chemical Process Computations by Raghu Raman, Elsevier Applied Science Publishers, the University
of Michigan (1985) (UNIT-I).
 Getting Started With MATLAB: A Quick Introduction For Scientists And Engineers, RudraPratap,
Oxford University Press, 2010 (UNIT-III and UNIT-IV)
 Process Simulation and Control Using Aspen, Amiya. K. Jana, PHI, 2009 (UNIT-V)
 Versteeg. H. K and Malalasekera. W. “An introduction to computational fluid dynamics – The finite
volume method”, Longman Group Ltd 1995(UNIT-II)
Introduction to Simulation
 Imitate the operations of a facility or process, usually
via computer.
 Facility or process of interest, that is to be simulated

is the system.
 To study system, often assumptions/approximations,

both logical & mathematical, are made and hence

model is formed.
 Model is solved by mathematical methods to get

solution (in terms of measures of performance)

What is process simulation for?

1. To interpret process flow sheets

2. To locate malfunctions and
3. To predict the performance of process
What simulation does and when to use

 Enables study of internal interactions of a complex system.

 Information, organizational and environmental changes can be
simulated and the effect of those on model behaviour can be
observed.
 The knowledge gained in designing a simulation model can
suggest improvement in the system.
 Insight may be obtained as to which variable are most important
and how variables interact.
 It can be used to experiment with new designs or policies prior to
implementation.
 By simulating different capabilities or requirements for a machine
can be determined.
When simulation should not be used
 When the problem can be solved using common
sense.
 If the problem can be solved analytically.
 If it is easier to perform direct experiments.
 If the cost exceed savings.
 If the resources or time are not available.
 If no data is available
 If the system behaviour is too complex.
To perform process simulation using a process
simulator
 Convert from a process flow sheet to a
simulation flow sheet, i.e., replace the
process units with appropriate simulation
unit.
 Model and solve the process unit

equations – a subroutine is written for

each process unit.
What are process flow sheets
 Process flow sheets are the language of chemical
processes. They describe an existing process or a
hypothetical process in sufficient detail to convey the
essential features.
 A process flow sheet is a collection of icons to

represent process and arcs to represent the flow of

material to and from the units. It emphasizes the flow
of material and energy in a chemical process.
What is a simulation flow sheet?

A simulation flow sheet is a collection of simulation

units to represent computer program (subroutines or
models) that simulate the process units and arcs to
represent the flow information among the simulation
units.
A typical simulation flow sheet
Steps involved in
simulation
General Process Unit Analysis
1. Define system variables.
2. Write simulation equations.
3. Check degrees of freedom.
4. Choose design variables.
5. Choose appropriate math solver.
 Nature of the Simulation Problem

 The nature of the process streams

 The nature of the material being processed
 The nature of each type of process unit
 The specific process configuration
 The feed stream property
Process Simulation Techniques

1. Sequential Modular Approach

2. Equation Oriented Approach

3. Simultaneous Modular Approach