CHENG324 Process Modeling

and Simulation

Dr. M. Rizwan
Department of Chemical Engineering
University of Bahrain
mrizwan@uob.edu.bh
 Evaluation Criteria
Assessment Type Number Weight Date
Quizzes 3 10 % TBA
Assignments 2-3 10 % TBA
Midterm Tests 2 40 % Test 1: 04 Nov 2020
Test 2: 21 Dec 2020
Final 1 40 % 07 Jan 2021
 What is System
• A system is a set of components which are related by
some form of interaction and which act together to
achieve some objective or purpose

• Components are the individual parts or elements that

collectively make up the system

• Relationships are the cause-effect dependencies

between components

• Objective is the desired state or outcome which the

system is attempting to achieve
 Static Vs. Dynamic System
• A static system has structure but no associated
activity (For example, bridge, building, etc.)

• A dynamic system involves time-varying behavior (For

example, machines, economy, etc.)
 What is a Model
“A model (M) for a system (S) and an
experiment (E) is anything to which M can be
applied in order to answer questions about S”
(Minsky, 1965)
 Concept of a Model in PSE
Systematic Computer based Methods Process Systems
when Applied to Process Engineering Engineering (PSE)

“A mathematical representation (M) of a physical system (S)

for a specific purpose (P) and experiment (E)”
Gaining insight into the behavior of systems, probing them, designing
them, controlling them, optimizing them, sometimes for safety studies

Critical issues:

Model form Purpose

System characteristics

Solution Data needed

Interpretation
 Why We Need Models?
Information Problem
(knowledge, Design
Process/ data)
Product
Production
Operation Simulation
Planning
Environment
Model Analysis
Business
System
7
Process Modeling – Process Lifecycle
Region of operation of the process during the
total lifecycle of the product-process

ct etc.
Engineering
ea r a l

ering

n,
res emic
ch

Detailed
Engine s

,
Proces

o
Pr ning
i
Ch

u
n
od
pla
Phenomena Process Process Process
models - III
models models - I models - II
..
Need Need Need
qualitatively Need
quantitatively quantitatively quantitatively
correct models correct models correct models
with large correct models
with large with limited with simple
application application phenomena
range application
range range models
 Modeling Process

Real world 1 Mathematical

problem problem

2
4

Mathematical
Interpretation
3 solution
 Modeling Process

System Optimised
under study System ?
Experimenting

Implement
REALITY Modelling
VIRTUAL
REALITY

Model Simulate Solution for

system the system
 Some Key Issues
• What do we understand about the real world problem?
• What is the intended use of the mathematical model?
• What governing phenomena or mechanisms are there in
the system?
• What form of model is required?
• How should the model be constructed and documented?
• How accurate does the model have to be?
• What data on the system are available and what is the
quality and accuracy of the data?
• What are the system inputs, states, outputs and
disturbances?
 Modeling Process

Real world 1 Mathematical

problem problem

2
4

Mathematical
Interpretation
3 solution
 Chemical Process Modeling
The process of generating abstract or conceptual
models, that is, representing reality with virtual reality
for a purpose!

f ( X )   N i C i  w M j D j  z  O k E k
i j k

Predict behaviour*
dm A
 f Ai  f A  rV
Monomer A

Monomer B
dt
Separator
effluent

Solvent (S) MIXER

dH ˆ  fH ˆ
Initiator (I)  fH i
Transfer
agent (T)
REACTOR
dt
Copolymer

............
SEPARATOR
product
Inhibitor (Z)
 Modeling Process

Real world 1 Mathematical

problem problem

2
4

Mathematical
Interpretation
3 solution
 Solution of Mathematical Models

Analytical or
numerical solution?

Process simulation; design; analysis (troubleshooting, safety,

environmetal impact assessment, ...)
 Some Key Issues
• What variable must be chosen in the model to satisfy the
DoF?
• Is the model solvable?
• What numerical (or analytic) solution technique should
be used?
• Can the structure of the problem be exploited to improve
the solution speed or robustness?
• What form of representation should be used to display
the results (2D graphs, 3D visualization?
• How sensitive will the solution output be to variations in
the system parameters or inputs?
 Modeling Process

Real world 1 Mathematical

problem problem

2
4

Mathematical
Interpretation
3 solution
 Interpretation – Key Issues
• How is the model implementation to be verified?
• What type of model validation is appropriate and feasible for the
problem?
• Is the resultant model identifiable?
• What needs to be changed, added or deleted in the model as a result
of the validation?
• What level of simplification is justified?
• What data quality and quantity is necessary for validation and
parameter estimates?
• What level of model validation is necessary? Should it be static or
dynamic?
• What level of accuracy is appropriate?
• What system parameters, inputs or disturbances, need to be known
accurately to ensure model predictive quality?
 Using the Results – Key Issues
• For online applications where speed might be essential,
do I need to reduce the model complexity?
• How can model updating be done and what data are
needed to do it?
• Who will actually use the results and in what form should
they appear?
• How is the model to be maintained?
• What level of documentation is necessary?
 Overall Modeling Process

Problem An iterative process

definition
System
characteristics
Problem
data
Model
construction
Model
solution
Model
Model verification
calibration &
validation
Thank you