Lecture 1

Process Modeling and Simulation
Introduction to Modeling and

Simulation
for
Ch.E-408
Course Facilitator: Engr. Dr. Muhammad Athar
Department of
Chemical Engineering
and Technology
Lecturer: Dr. Muhammad Athar| Email: m.athar@mnsuet.edu.pk

INTRODUCTION
Engr. Dr. Muhammad Athar

Qualification: PhD Chemical Engineering
Department of Chemical Engineering
Name
City
Brief about you?
Course: Process Modeling and Simulation | Lecture: Introduction to Modeling and Simulation
Time Table
Ch.E-408 Process Modeling and Simulation
Credit Hours 1 (Theory), 1 (Lab)
Contact Hours 1 (Theory), 2 (Lab)
Classes as per timetable, Check Time Table
Rules
• Strictly follow the instructions

• Cell Phones (Switch off / vibration/ Silent)
• Attendance would be at start of class (Late comers, only
meet at end of lecture via CR/GR)
• Be Punctual
• No permission needed to enter class (don’t disturb others)
• Quiz / Assignments would be via LMS (Manual if LMS not
active)
Attendance
• You must attend all the lectures
• However, in order to appear in the final exams, minimum 80%
attendance is mandatory
• For less attendance, Department rules would be followed (Written
Permission from Chairperson to sit in exam + Extra
Assignments/ Projects)
Course: Process Modeling and Simulation | Lecture: Introduction to Modelling and Simulation
Marks Distribution
Major Section Sub Component Weightage
Quiz 1 (before Mid) 6
Quiz 2 (After Mid) 6
Sessional
Assignment / Group Presentation 8
MCQs/ True False/ Short & Long Questions/

Midterm 30
Problems
MCQs/ True False/ Short & Long Questions/

Final Term Problems 50
TOTAL 100
INTRODUCTION
Process Design and Simulation
Course Outline:
1) Computer simulation in process engineering
2) Steps in simulation approach
3) Architecture of flow sheeting software
4) Selection of simulation software
5) Steady state flowsheeting
6) Dynamic simulation
7) Introduction to various design and simulation software, e.g., Aspen Plus, Aspen HYSYS, ChemCAD, etc. (A particular
software may be selected to cover the rest of course contents)
8) A review of capabilities and limitations of the design and simulation software
9) Defining process streams and use of fluid packages
10) Adding common unit operations in the flowsheet
11) Drawing simple process flow diagram (PFD in Aspen HYSYS)
12) Steady state material and energy balances using graphical user interface and work sheet
13) Adding instrumentation and control components
14) Simple transient calculations
INTRODUCTION
Recommended Books:
1. Process Modeling, Simulation, and Control for Chemical Engineers by W. L. Luyben
2. Process Dynamics: Modeling, Analysis and Simulation by B. W. Bequette
3. Plantwide Dynamic Simulators in Chemical Processing and Control by W. L. Luyben
Additional Books:
1. Simant R. Upreti. “Process modeling and simulation for chemical engineers : theory and practice” John Wiley & Sons, Inc, 2017.
2. Juma Haydary. “Chemical Process Design and Simulation – Aspen Plus and Aspen HYSYS Applications” John Wiley & Sons, Inc, 2019.
3. Amiya K. Jana. “Chemical Process Modelling and Computer Simulation” PHI Learning (Pvt) Ltd., 2011.
4. Ashok K. Verma. “Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering” CRC Press, Taylor & Francis
Group, 2014.
5. Taha Hamdy A. “Operation Research-An Introduction” Prentice Hall (Pvt) Limited.
6. Edgar T. F., Himmelblau D.M. “Optimization of Chemical Processes” 1989 McGraw-Hill Inc.
7. B. V. Babu “Process Plant Simulation”, 2004 Oxford University Press.
8. E. Bruce Nauman, “Chemical Reactor Design, Optimization and Scaleup”, 2002 McGraw-Hill.
9. Robbin Smith, “Chemical Process: Design and Integration,” 2005, Wiley
INTRODUCTION
CLOs with PLOs mapping would be

updated soon
Study Material for Lecture
Lecture Slides
Chapter 1 (Introduction to Modelling and Simulation),
pg. 3 - 20, Amiya K. Jana. Chemical Process Modelling and
Computer Simulation PHI Learning (Pvt) Ltd., 2011.
Chapter 1 (Introduction to Modelling and Simulation),

pg. 1 - 16, Ashok K. Verma. Process Modelling and
Simulation in Chemical, Biochemical and Environmental
Engineering CRC Press, Taylor & Francis Group, 2014.
Lecture Objectives
• What is Chemical Process & its Complexity
• What is Simulation & Modelling
TABLE OF CONTENTS
What is Chemical Process & it Complexity
What is Simulation & Modelling
TABLE OF CONTENTS
Chemical Process
• Chemical process is a method or means of somehow changing one or more

chemicals or chemical compounds.
• It involves chemical reaction and purification, pressure and temperature changes etc.
• It involve only one step or multiple steps and sometimes referred as unit operations.
unit operation unit process
• a basic step in a process. • one or more grouped

• involve a physical change operations in a
or chemical manufacturing system
transformation
Chemical Process
• The physical representation of a process requires understanding

of all basic phenomena and unit operations
• These phenomena should be expressed in terms of mathematical

equations using known laws.
• A detailed description of a process will result in a large set of

mathematical equations
Chemical Process
• unit operations consist of five classes:
a) Fluid flow processes
b) Heat transfer processes,

Sulphuric Acid Plant
c) Mass transfer processes,
d) Thermodynamic processes
e) Mechanical processes
• Name Unit
Operations
involved
Complexity of Chemical Processes
• multiscale nature of chemical

processes
• Stakeholders/Market
requirements
• Dynamic Nature / Fluctuations
TABLE OF CONTENTS
Definitions
Modeling and simulation
a discipline for developing a level of understanding of the behavior of the parts of a
system, and of the system as a whole
Model
simplified representation of a system at some particular point in time and/or space
intended to promote understanding of the real system
Process Model
comprises of a set of equations that permits us to predict the behavior of a chemical
process
Definitions
Simulation
a mathematical model to capture the behavior of a process plant may be formulated.
Simulation is the process of analyzing a whole process or a part of it
System
typically consists of components (or elements) which are connected together in order to
facilitate the flow of information, matter or energy
Types of Modelling Problems
Rating Inputs are known

output variables are to be determined
Problem
Modelling
Problems
Design Outputs are the desired values
the input variables must be determine for
Problem desired output
Types of Modelling Equations
algebric equation with one ore more variables

Algebraic
equations (AEs)
Modelling Ordinary Differential equation with only one independent variable

differential
Equations equations (ODEs)
Partial differential equation which imposes relations between the various

partial derivatives of a multivariable function
equations (PDEs)
Types of Models / Simulation
Steady-State
Simulation
Dynamic
Simulation
Variance in simulations
Stochastic &
Models / deterministic • formulation of the problem
Simulation
Simulation • the types of variables
Types Linear & Non
Linear • the type of equations
Discrete-Event • the solution methodology

Simulation
Molecular
Simulation
Stochastic &
Steady-State Simulation Dynamic Simulation
deterministic Simulation
• variables and • In real time variables • consider the random
parameters remain and parameters change variables and nature of
constant and do not continuously with time the phenomena
change with time • Most of the fluctuations • Random variables
• laws of conservation of are observed during change continuously in
mass, energy or startup and shutdown time
momentum are applied • inclusion of control • deterministic models do
• model equations are systems can be covered not consider random
simple since ‘time’ is not • Time parameter is variables provides
present in these considered average properties
equations
Linear & Non Linear Discrete-Event Simulation Molecular Simulation
• A linear model is an • involves discrete variables • To understand the

equation that describes a • Discrete variables are processes at the molecular
relationship between two countable in a finite amount level and their relationship
quantities that show a of time e.g. money in your with the macroscale
constant rate of change. pocket, while continuous processes, the model must
• If the rate of change is not variables would (literally) consider the effect of the
constant and some factors take forever to count. molecule on the process
are effecting it in such way • models the operation of a • simulations that consider the
that the behavior is system as a (discrete) effect of each molecule
fluctuating, it is non linear sequence of events in time • Helpful in studying the
• Each event occurs at a nanoscale
particular instant in time
Applications of Modelling & Simulation
Process
Synthesis
Equipment
Design
Retrofitting
Process
Simulation Design
Applications Process
Operation
Process
Control
Process Safety
Personnel
Training
Limitations of Modelling & Simulation
• Variables - selection (significant / insignificant)
• Only mathematical representation, no exact behavior
• Experimental data is needed for validation
• Assumptions is compulsory due to which certain aspects

are missed

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Process Modeling and Simulation

Introduction to Modeling and

Course Facilitator: Engr. Dr. Muhammad Athar

Lecturer: Dr. Muhammad Athar| Email: m.athar@mnsuet.edu.pk

Engr. Dr. Muhammad Athar

Ch.E-408 Process Modeling and Simulation

Credit Hours 1 (Theory), 1 (Lab)

Contact Hours 1 (Theory), 2 (Lab)

Classes as per timetable, Check Time Table

• Strictly follow the instructions

• You must attend all the lectures

• However, in order to appear in the final exams, minimum 80%

• For less attendance, Department rules would be followed (Written

Permission from Chairperson to sit in exam + Extra

MCQs/ True False/ Short & Long Questions/

MCQs/ True False/ Short & Long Questions/

2. Process Dynamics: Modeling, Analysis and Simulation by B. W. Bequette

3. Plantwide Dynamic Simulators in Chemical Processing and Control by W. L. Luyben

5. Taha Hamdy A. “Operation Research-An Introduction” Prentice Hall (Pvt) Limited.

7. B. V. Babu “Process Plant Simulation”, 2004 Oxford University Press.

9. Robbin Smith, “Chemical Process: Design and Integration,” 2005, Wiley

CLOs with PLOs mapping would be

Chapter 1 (Introduction to Modelling and Simulation),

• What is Chemical Process & its Complexity

• What is Simulation & Modelling

What is Chemical Process & it Complexity

What is Simulation & Modelling

What is Chemical Process & it Complexity

What is Simulation & Modelling

• Chemical process is a method or means of somehow changing one or more

unit operation unit process

• a basic step in a process. • one or more grouped

• The physical representation of a process requires understanding

• These phenomena should be expressed in terms of mathematical

• A detailed description of a process will result in a large set of

b) Heat transfer processes,

• multiscale nature of chemical

• Dynamic Nature / Fluctuations

What is Chemical Process & it Complexity

What is Simulation & Modelling

Rating Inputs are known

algebric equation with one ore more variables

Modelling Ordinary Differential equation with only one independent variable

Partial differential equation which imposes relations between the various

Discrete-Event • the solution methodology

Linear & Non Linear Discrete-Event Simulation Molecular Simulation

• A linear model is an • involves discrete variables • To understand the

• Variables - selection (significant / insignificant)

• Only mathematical representation, no exact behavior

• Experimental data is needed for validation

• Assumptions is compulsory due to which certain aspects

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