Prepared by: Lim Ying Pei

FKK, UiTM Shah Alam

CHE692 - Course Content
IMPORTANT NOTICE 1
IMPORTANT NOTICE 2
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WEEK 1 We will be covering:
1.0 Introduction to Process Dynamics
CLO1 Understand the importance of process dynamics to
industrial applications.
CLO2 Explain the categories of applications of process
modelling techniques to various stages of design.
2.0 Fundamental Laws of Dynamic Mathematical Models
CLO1 Recall the difference between Total Continuity
Equation (TCE) and Component Continuity Equation
(CCE).
CLO2 Apply TCE & CCE on mass balance of simple
chemical process.
CLO3 Apply TCE & CCE on mass balance for constant and
variable holdups and
CLO4 Apply product rules to simplify developed equations.
CHAPTER 1 to Process Dynamics
Introduction
1.1 Use of Mathematical Modelling for
various purposes.
1.2 Principles of formulation
 Mathematical
1.1 models are useful
Use of Mathematical in chemical
Models
engineering in the following areas:
A) Research and development
B) Design stage
C) Plant operations, and
C) Business in economic studies
A. Researchchemical
Determining and development
kinetics mechanisms
and parameters from laboratory and/or pilot
plant reaction data.
Exploring the effects of different operating
conditions for optimization and control
studies.
Aiding in scale-up calculations.
B. Design the
Exploration stage
sizing and arrangement of
processing equipment for dynamics
performance.
The study of interactions of various parts of
the process, particularly when the materials
recycle or heat integration is used.
Evaluation of alternative process and control
structures and strategies.
Simulating start-up, shutdown and
emergency situation and procedures.
C. Plant operation
Troubleshooting control and processing
problems.
Aiding in start-up and operator training.
Studying the effects of and the requirements
for expansion of projects
Optimizing plant operation
1.2 Principles of Formulation
Basis
The bases for mathematical models are
the fundamental physics and chemical
laws such as laws of conservation of
mass, energy and momentum.
Assumptions
Types of valid assumptions that can be
made of a process difficult task.
Too details : results in a tedious model
and take a long time to solve.
 Mathematical consistency of Model
Number of variables equals the number of
equations
DOF must be zero to obtain a solution
Solution of the model equations
Available solution techniques and tools
must be kept in mind as a mathematical
model is developed
 Verification
Important part but often being neglected:
proving the model describes the real
world.
Design stage this cannot be done but
usually data from pilot plant or similar
plant study could be used.
Conclusion
It is usually cheaper, safer and faster to
conduct the studies on a mathematical
model rather than experimentally on an
operating unit.
Review of Fundamental Laws of Process
Dynamics
(A) Continuity Equation*
Total Continuity Equation (TCE)
Component Continuity Equation (CCE)
(B) Energy Equation*
(C) Momentum and Equation of Motion*
(D) Other Laws: Transport equations, chemical
Kinetics equations, phases equations

*Macroscopic and microscopic systems will be

applied
PART I
Fundamental Laws
1. CONTINUITY EQUATION
Total Continuity Equation
Component Continuity Equation
 Total Continuity Equation, TCE (Mass Balance)
The principle of the conservation of mass when
applied to a dynamic system says

Eq. (2.1)

- The right-hand side of Eq. (2.1) will be either a

partial derivative or an ordinary derivative d/dt of the
mass inside the system with respect to the
independent variable t.
- The units of this equation are mass per time.
- Only one total continuity equation can be written for
one system.
Example 2.1 (Macroscopic System)

Question: Develop a total continuity equation, TCE for

the tank.
 Component Continuity Equation,CCE
(Component Balance)

- The units of this equation are moles of component j per

unit time.
- The flows in and out can be both convective (due to bulk
flow) and molecular (due to diffusion).
- We can write one component continuity equation for
each component in the system.
Example 2.3 (Macroscopic System)

Question: Develop a component continuity equation

for reactant A.
REACTANT A
PRODUCT B
LETS TRY BY URSELF
Example 2.4 (Macroscopic System)

Question : By assuming first-order reactions, develop

the component continuity equations for components A,
B, and C
Answer
POP QUIZ 1
 Development of Dynamic Models
Illustrative Example: A Blending Process

An unsteady-state mass balance for the blending system:

rate of accumulation rate of rate of

(2-1)
of mass in the tank mass in mass out
 d V
or
w1 w2 w (2-2)
dt
where w1, w2, and w are mass flow rates.

The unsteady-state component balance is:

d Vx
w1x1 w2 x2 wx (2-3)
dt

The corresponding steady-state model

0 w1 w2 w (2-4)
0 w1x1 w2 x2 wx (2-5)
For constant , Eqs. 2-2 and 2-3 become:
dV
w1 w2 w (2-12)
dt
d Vx
w1x1 w2 x2 wx (2-13)
dt
Equation 2-13 can be simplified by expanding the accumulation
term using the chain rule for differentiation of a product:
d Vx dx dV
V x (2-14)
dt dt dt
Substitution of (2-14) into (2-13) gives:
dx dV
V x w1x1 w2 x2 wx (2-15)
dt dt
Substitution of the mass balance in (2-12) for dV/dt in (2-15)
gives:

dx
V x w1 w2 w w1x1 w2 x2 wx (2-16)
dt

After canceling common terms and rearranging (2-12) and (2-16),

a more convenient model form is obtained:

dV 1
w1 w2 w (2-17)
dt
dx w1 w2
x1 x x2 x (2-18)
dt V V
 TUTORIAL 1
Discussion in class
Question
1. Final Exam, April 2011.Question 1 & 5
2. Final Exam, Oct 2010..Question 2 & 5