CHAPTER 1

DYNAMIC BEHAVIOUR OF
CHEMICAL PROCESSES

NOORLISA HARUN
Faculty of Chemical and Natural Resources Engineering,
University Malaysia Pahang.
PhD (University of Waterloo), MEng (UTM), BEng (UTM)
noorlisa@ump.edu.my, 09-5492885, 019-9708277

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 MKK 1263
Course Instructor
Noorlisa binti Harun

Academic Qualifications:

P.hd (Process Modelling and Control), Waterloo University, Canada

Chapter 1

M. Eng. (Process Monitoring), UTM

B.Eng. (Chemical Engineering), UTM

Contact:

Email: noorlisa@ump.edu.my

Room: A2-24

Phone No: 019-9708277 (Office hour only) Office No: 09-5492885

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 MKK 1263
Chapters Overview
Chapter 1 Dynamic Behavior of Chemical Processes
Theoretical Model, Dynamic Behavior

Chapter 2 Control Strategies for Chemical Processes

Feedback, Feedforward, Ratio Control, Cascade, Controller
Chapter 1

Tuning

Chapter 3 Multiloop Control Techniques

Loop Interaction, RGA, SVA

Chapter 4 Discrete Systems

Z-transform for first order, second order

Chapter 5 Distributed Control System

DCS Technology
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 MKK 1263
Course Outcomes
By the end of semester, students should be able to:

CO1 Develop a model and analyze the dynamic behavior of chemical

processes
Chapter 1

CO2 Design and tuning a Proportional Integral and Derivative (PID) of

feedback control system

CO3 Design and analyze strategies for reducing control loop interactions in
multi loop control problem

CO4 Characterize the discrete system and digital feedback control as well as
to explain the use of distributed control system and programmable logic
controller in the process control area

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 MKK 1263
Assessments

Methods Weightage Chapters

Test 15% Chapters 1 and 2
Assignment 20% Chapters 1, 2 and 3
Chapter 1

Project 25% Chapters 4 and 5

- Report
- Presentation
Final 40% 1 Chapters 1 and 2
Examination 1 - Chapter 2
1 Chapter 3
1 Chapter 4

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 Chapter 1 MKK 1263

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 MKK 1263
Why Modelling?

Understanding the process

Investigate process behaviour without the unexpected
hazard of operating the real process
Operator training
Chapter 1

Plant operators can be trained to operate a complex

process and deal with emergency situations
Training for operators without exposure to dangerous
conditions in the real plant situation
Safety
To design safety system
Process control
Dynamic models used to develop appropriate controller
settings
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Chapter 1 MKK 1263
Why modelling?
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Process
a) Process: conversion of raw materials into product using chemical, physical
or combination of both

b) Steady-state vs. unsteady-state behavior

i. Steady state: variables do not change with time
Chapter 1

ii. But on what scale? cf., noisy measurement

c) Continuous processes: Examples of transient behavior:

i. Start up & shutdown
ii. Grade changes
iii. Equipment or instrument failure (e.g., pump failure)

d) Batch processes
i. Inherently unsteady-state operation
ii. Example: Batch reactor
1. Composition changes with time
2. Other variables such as temperature could be constant

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 MKK 1263 Mathematical Model

First principle model: Overall Mass, Energy Balances

Chapter 1

Empirical model: Polynomial, Neural Network

Combination of first principle and empirical model: Energy

balance + linear model

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 MKK 1263

What is a model ?
A model for a system and an experiment is
anything to which model can be applied in order
Chapter 1

to answer questions about a system (Minsky,

1965)

Process engineering models

A mathematical representation of a physical
system for a specific purpose and experiment

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 MKK 1263

The Modelling Process

Real world 1 Mathematical

Chapter 1

problem problem

2
4

Mathematical
Interpretation
3 solution

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 MKK 1263

The Modelling Process

System Optimised
under study System ?
Chapter 1

Experimenting

Implement
Modelling
REALITY
VIRTUAL
REALITY
Model Simulate Solution for
system the system

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 MKK 1263
The Modelling Process
An iterative process
Problem
definition
Chapter 1

System
characteristics
Problem
data
Model
construction
Model
solution
Model
Model verification
calibration &
validation
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Model Application Areas

Process design
Process control and diagnosis
Chapter 1

Troubleshooting
Process safety
Operator training
Environmental impact assessment

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 MKK 1263

An Overview

The process system (SISO, MISO,MIMO)

Chapter 1

The modelling goal

A systematic approach
The necessary ingredients

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 MKK 1263

The Process System

d
Chapter 1

u S y
x
Inputs, u y = S[u,d]
Outputs, y
States, x (SISO, MIMO
SS or dynamic)
Disturbances, d

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 MKK 1263
The Modelling Goal
Application areas
Flowsheeting Process control

Chapter 1

simulation prediction

(rating) regulation

design identification

optimization diagnosis

Performance specifications
real, integer or Boolean
indices
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 MKK 1263
A Systematic Modelling Procedure
1 4 7 Model
Problem Model
definition construction calibration
& validation
Chapter 1

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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 MKK 1263

1. Problem Definition
Clear description of system
establish underlying assumptions
Chapter 1

Statement of modelling intention

intended goal or use
acceptable error
anticipated inputs/disturbances

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 MKK 1263
1. Problem Definition
Chapter 1

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 MKK 1263
Definition Example (Step 1)
CSTR description
details
f, CAi
lumped
Chapter 1

in-flow

dynamic

Goal (intent)
inlet change range
f, CA, CB

+/-10% accuracy
out-flow

control design

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 MKK 1263
A Systematic Modelling Procedure
1 4 7 Model
Problem Model
definition construction calibration
& validation
Chapter 1

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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 MKK 1263
2. Controlling Factors /
Mechanisms
Chemical reaction
Mass transfer
Chapter 1

convective, evaporative, ...

Heat transfer
radiative, conductive,
Momentum transfer

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 MKK 1263

Mechanisms - CSTR (step 2)

Chemical reaction A P
Chapter 1

Perfect mixing
No heat loss (adiabatic)

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 MKK 1263
A Systematic Modelling Procedure
1 4 7 Model
Problem Model
definition construction calibration
& validation
Chapter 1

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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 MKK 1263
3. Data for the problem

Physico-chemical data
Chapter 1

Reaction kinetics
Equipment parameters
Plant data

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 MKK 1263

Data - CSTR (step 3)

Reaction kinetics data: k0 , E, DHR

Chapter 1

Physico-chemical properties
specific heats, enthalpies, heat and mass
transfer coefficients, density etc
Equipment parameters: V

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 MKK 1263
A Systematic Modelling Procedure
1 4 7 Model
Problem Model
definition construction calibration
& validation
Chapter 1

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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 MKK 1263
4. Model construction

Constitutive equations
Assumptions
Boundaries and balance reaction rates
transfer rates
volumes
Chapter 1

Conservation equations property relations

balance volume
mass
relations
energy
control relations &
momentum equipment constraints
Characterizing Variables

Conditions (ICs, BCs)

Parameters

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 MKK 1263 Conservation Laws
Theoretical models of chemical processes are based on
conservation laws.
Conservation of Mass
rate of mass rate of mass rate of mass
(2-6)
Chapter 1

accumulation in out

Conservation of Component i
rate of component i rate of component i

accumulation in

rate of component i rate of component i

(2-7)
out produced
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 MKK 1263 Conservation of Energy
The general law of energy conservation is also called the First
Law of Thermodynamics. It can be expressed as:
rate of energy rate of energy in rate of energy out

accumulation by convection by convection
Chapter 1

net rate of heat addition net rate of work

to the system from performed on the system (2-8)
by the surroundings
the surroundings

The total energy of a thermodynamic system, Utot, is the sum of its

internal energy, kinetic energy, and potential energy:
Utot Uint U KE U PE (2-9)

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 MKK 1263 Equations
CSTR Model conservation

(step 4) dm A
dt
f Ai f A rV

dH
fH i fH
Assumptions dt
A1: perfect mixing constitutive
Chapter 1

A2: first order reaction

E

r k0e RT
CA
A3: adiabatic operation
m A C AV
A4: equal inflow, outflow
H c T
i P i
A5: constant properties
H cPT
f A i fC Ai
f A fC A

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 MKK 1263
CSTR Model (step 4)

Initial Conditions
C A (0) C Ai
Chapter 1

T (0) Ti

Parameters and inputs

10% accuracy
V , f , C Ai , Ti , cP

30% - 50% accuracy k0 , E, DH R

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 MKK 1263
A Systematic Modelling Procedure
1 4 7 Model
Problem Model
definition construction calibration
& validation
Chapter 1

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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 MKK 1263
5. Model solution

Algebraic systems
Ordinary differential equations
Chapter 1

Differential-algebraic equations
Partial differential equations
Integro-partial differential equations

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 MKK 1263
CSTR - Numerical
Solution (step 5)

Solution of differential-algebraic equations

Chapter 1

using structuring techniques

using direct DAE solution

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 MKK 1263
A Systematic Modelling Procedure
1 4 7 Model
Problem Model
definition construction calibration
& validation
Chapter 1

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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 MKK 1263

6. Model verification
Structured programming approach
Modular code
Chapter 1

Testing of separate modules

Exercise all code logic
conditions
Constraints
Quality documentation

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 MKK 1263
A Systematic Modelling Procedure

1 4 7 Model
Problem Model
definition construction calibration
& validation
Chapter 1

2 5
Controlling Model
factors solution

3 6
Problem Model
data verification

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 MKK 1263
7. Model calibration/validation

Generate plant data

Analyze plant data for quality
Chapter 1

Parameter or structure estimation

Independent hypothesis testing for validation
Revise the model until suitable for purpose

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Chapter 1 Runge Kutta Method

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Homework: RK 4th order revision

Example 25.9 (pg 712)

Solve the following set of ODEs using fourth-order
RK method x y1 y2
Chapter 1

1 0 4 6
= 0.51 0.5 3.115234 6.85767

2 1 2.426171 7.632106
= 4 0.32 0.11 1.5 1.889523 8.326886

2 1.471577 8.946865

Ref: Chapra, S. C. and Canale, R.P. (2006). Numerical Methods for Engineers. 5th
Edition, McGraw Hill.

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Ice Cube Problem

Variables Values Units

Mice 0.025 Kg
Mw 0.5 Kg
Tw 288.15 K
Chapter 1

L 334000
H 631
cp 4187 KJ/kg.K
Density 917 Kg/m3
Tice 273.15 K

Determine how long it will take for the ice to melt in

the glass of water? Solve the problem using Runge
Kutta and plot the graphs.
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 MKK 1263 Liquid storage system
Two liquid storage systems are shown in Figure 1. Each tank is 3 ft in diameter. The
mathematical models describing both systems are shown below:
Chapter 1

= = 0.5

Figure 1: Liquid storage system

Suppose that the initial states of both systems are = 14 ft and = 7 ft3/min. After
five minutes, the inlet flowrate suddenly changes from 7 ft3/min to 5 ft3/min. Predict
which tank will empty first after a long period of operation.

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 Chapter 1 MKK 1263
CSTR

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 MKK 1263
Chapter 1 CSTR

CA0=0.989 mol/l; T0=296.6 K; Tc = 270 K

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