BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE- PILANI,

K. K BIRLA GOA CAMPUS

INSTRUCTION DIVISION
FIRST SEMESTER 2016-2017
Course Handout
Date: 1/08/2016
Course No.
Course Title
Instructor-in-charge
Instructor (Lectures/Tutorial)

: CHE F418
: Modeling and Simulation in Chemical Engineering
: Professor SaibalGanguly
: Dr. Dhanya Ram V

1. COURSE DESCRIPTION
This course is designed to understand the importance of process modeling and
simulation for chemical process industries as well as process designers, technology
developers, operations research and academic researchers. This subject covers
evolution, logical synthesis, validation and real-life application of an array of steady
state and dynamic process models for chemical processes in conjunction with the
effective application of computer based convergence algorithms.
2. SCOPE AND OBJECTIVE OF THE COURSE
This advanced level course of enormous real-life and industrial importance intends to
prepare chemical engineering students and impart to them the necessary skills for
using process modeling and simulation capabilities for performance and profit
enhancement of chemical processes as well as development of new process systems.
The emphasis in this course will be to understand the fundamentals, algorithms and
logical analysis of process modeling to develop advanced level domain specific
skillsets essential for modern day industries.
3. TEXT BOOK
1) Process Modeling, Simulation and Control for Chemical Engineers, William L.
Luyben, McGraw Hill,1999
2) Chemical Process Modeling and Computer Simulation, Amiya Kumar Jana,
Prentice Hall, 2013
4. REFERENCE BOOKS
1) Computational methods for process simulation, W. Fred. Ramirez, Butterworth
Heinemann, 1998
2) Process Dynamics: Modeling, Analysis and Simulation, B. Wayne Bequette;
Prentice Hall International, 1998
3) Chemical Engineering Dynamics: An introduction to modeling and computer
simulation; J Ingham, I J Dunn, E Heinzle, J E Prenosil, J B Snape, Wiley VCH,
2013.

4) Process modeling and simulation in chemical, biochemical and environmental

engineering; A K Verma; CRC Press Taylor and Francis, 2014.
5. COURSE PLAN
Lecture
No.
1

Learning Objectives
Introduction

Topics to be covered
Scope and objectives of modeling
and simulation; Industrialsignificance

Ref.**
T1/T2/R2/
R3/
Lecture

2-4

Fundamentals and basic

definitions

Refresher on chemical processes,

notes
T1/T2/R1/

flowsheets and their nomenclature;

R2/

Fundamentals of process modeling:

a) steady state and dynamic models;
b) offline, online, real-time models;
c) models for hierarchical plant operation,

R3/Lecture
Notes

control and decision making

d) artificial intelligence based models
5-6

7-8

9-10

11

Introduction to

versus process models

Fundamentals on sequential,

T2/R1/Lect

sequential,

simultaneous equation solving and

ure

simultaneous equation

modular approaches; once-through

Notes

solving and modular

and recursive models

approaches
Modeling of single

Development of model equations for

T1/T2/R1/

stage equilibrium

steady state simple single stage

R2/

processes and

equilibrium processes and single

R3

reaction systems
Computer based

stage reaction systems

Construction and analysis ofnumerical

T1/T2/R1/

numerical algorithms

algorithms for singlestage steady state

R2/R3

for single stage steady

processes

state processes
Convergence

Methods for acceleration of convergence

promotion

T1/T2/R1/
Lecture
Notes

12-14

15-18

Modeling of

Development of model (MESH)

T1/T2/R1/

multiplestage

equations for multiple stageequilibrium

Lecture

equilibrium

processes;

Notes

Processes
Computer based

Construction and analysis ofnumerical

numerical algorithms

algorithms for multiplestage steady state

for multiple stage

equilibriumprocesses; sparse matrix

multi-component

algorithms;variable pairing and structuring;

steady state
19-21

equilibrium processes
Modeling of complex
industrial systems:
Refinerydebutanizer
column and Crude

T1/T2/R1/
R2/
Lecture
Notes

defining boundary conditions or end

conditions
Specialized techniques for representing

Industrial

interconnected complex

case study

industrial equilibrium distillation

columns; use of lumping algorithms

distillation column
withside strippers
22-24

25

andpumparounds
Modeling of

Modeling and simulation of

T1,T2,R1,

chemicalreactors with

chemical reactors with initial, final

R2

boundaryvalues
Introduction to

and split boundary values

Fundamentals of process dynamics

R2,R3

Modeling of

Construction of dynamic models for

T1,T2,R1,

Unsteadystate

unsteady state chemical processes

R2

dynamicprocesses
Computer based

Solution of unsteady state chemical

T1,T2,R1,

numerical algorithms

process models; boundary values

R2,R3

forsolving dynamic

and numerical methods

simulation problems
Modeling of

Specialized techniques for

Industrial

complexindustrial

representing polymerization

case

systems:

reactors; use of lumping algorithms

Study

processdynamics
26-30

processes or
31-32

33-35

Polymerization
36-37

reactors
Modeling of

Specialized techniques for

Industrial

complexindustrial

representing high temperature

case

systems:

specialized reactor for iron making;

Study

Thermo-chemical

use of lumping algorithms

modelof blast furnace

38-40

for ironmaking
Modeling of
plantflowsheets

Modeling of plant flowsheets with

R2,R3,

complex recirculations and recycles;

Lecture

Introduction to decomposition of

Notes

process networks
** NOTE: This is an advanced level and modern subject
and therefore no single text book is adequate. The
available text books will be supplemented with
lecture notes and reference books.

6. EVALUATION SCHEME
EC
No
.

Evaluation
Component

1.

2.
3.
4.

Duration

Test I

60
minutes

Test II
Tutorial Quiz/
Assignments/Qu
iz/Attendance
Mini projects
and
Presentations

60
minutes
To be
announce
d in classTo be
announce
d in class

Weightage
%

15

15

20
20

Date& Time

19.09.16,
Monday
10:30 PM
11:30 AM
24.10.16,
Monday
10:30 PM
11:30 AM
To be
announced in
class
To be
announced in
class

Remarks

Open / Closed
Book

Open / Closed
Book

Literature Review,
Mini Projects
(includes
modeling of
selected systems,

5.

Comprehensive
Exam

3 hours

30

1.12.2016,
Thursday (AN)

computer coding,
Analysis of
Results, Viva)
Open/Closed
Book

NOTE:
(1) The nature of exam will be announced in class
(2) Chamber consultation hours will be announced in the class.
(3) The notices will be displayed on the Chemical Engineering Notice Board
Wing A only.
(4) Make-up will be granted for genuine cases only. Prior permission of IC is
compulsory.
Instructor-in-charge
CHE F418

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