MATHEMATICAL

MODELING
1
OBJECTIVES:

Modeling principles.
Outline the procedure for developing a mathematical
model of a dynamic physical / chemical process using
fundamental laws.
Uses of Mathematical Modeling.
Derivations / development of mathematical models
2
INTRODUCTION

Modeling is used to study the dynamic behaviour, process
design, model-based control, optimization and predictions
of the processes.
It is the mathematical representation of a process intended
to promote understanding of a real process.

Suppose we have an experimental setup as shown below.
3
Experimental Setup
Input
Output
U
n
i
t

1

4
Input
Output
Mathematical
modelling
The same Output
U
n
i
t

1

Modelling principles
Dynamics models of chemical processes consist
of ODE (ordinary differential equations) and /
partial differential equations (PDE), plus related
algebraic equations.

For process control problems, dynamic models
are derived using unsteady state conservation
laws.

5
U
n
i
t

2

A systematic approach for developing
dynamic models
1. State the modelling objectives and the end use of the
model.
2. Draw the schematic diagram of the process and label
all process variables.
3. List all the assumptions involved in developing the
model.
4. Write appropriate conservation equation (mass,
component, energy, and so forth).
5. Introduce equilibrium relation and other algebraic
equation (from thermodynamics, transport phenomena,
chemical kinetics etc).

6
U
n
i
t

3

6. Perform degree of freedom.
7. Simplify the model. (Grouping of like terms).
8. Classify the inputs as the disturbance or manipulated
variables.
Conservation laws

Theoretical models of chemical processes are based on
conservation laws such as the conservation of mass and energy.

Conservation of Mass

Rate of mass accumulation = rate of mass in rate of mass out

7
U
n
i
t

4


Conservation of Component i




Conservation of Energy
8
consumed mass of rate -
generated mass of rate
out mass of rate - in mass of rate on accumulati mass
+
= of Rate
system on the performed work of rate
system the o addition t heat of rate net
out energy of rate - in energy of rate on accumulati Energy
net
of Rate
+
+
=
U
n
i
t

4

Uses of Mathematical Modeling

To improve understanding of the process
To optimize process design/operating
conditions
To design a control strategy for the process
To train operating personnel
9
U
n
i
t

5

Development of Dynamic Models
Liquid - level system

Example:
Two liquids are mixed together in a tank and the product is
removed through an exit stream at the bottom of a tank. We
know that changes in the feed stream flow rate can cause the
tank to overflow or completely drain, and this is undesirable.
out flow (F) is linearly related to the hydrostatic head of the
liquid level through the resistant (R).
Is it possible to modify the design of the tank to avoid
instability? How? Develop a model which will give a true
representation of this experimental setup.
10
U
n
i
t

6

Liquid - level system






Liquid - level system (steady state condition)







11
h
F
1
F
2
F

U
n
i
t

6

Changes in the feed stream flow rate causes the process to be
of a transient behaviour.









Liquid - level system (un-steady state condition)







12
H
V
F
1
F
2
F

U
n
i
t

6

Conservation of Mass

Rate of mass accumulation = rate of mass in rate of mass out

..(1)

..(2)


.(3)

(4)



13
out in
m m
dt
dM
- -
=
F F
dt
Ah d
+ =
2
1
F
) (
R
h
F F
dt
Adh
+ =
2 1
( ) ( )( ) R F F h
dt
dh
RA
2 1
+ = +
U
n
i
t

6

Class exercise
Consider an example of a man in a shower.

By making scenarios / design questions, follow the
procedure to design a control system which will help to
achieve the desired products. Develop a model
mathematical model to represent this process.
14
U
n
i
t

6

The Blending Process Revisited
Determine the component balance model
15
U
n
i
t

6




.........................1

The corresponding steady-state model

.....................................2

............................3

The Blending Process Revisited

For constant density, the transient process become:


16
( ) ( ) out mass of rate - in mass of rate
tank in the mass of
on accumulati of
=
|
|
.
|

\
|
rate
( )
w w w
dt
V d
+ =
2 1

w w w + =
2 1
0
x w x w x w + =
2 2 1 1
0
U
n
i
t

6


..4

5

Equation 5 can be simplified by expanding the accumulation term
using the chain rule for differentiation of a product:

..6

Substitution of (5) into (6) gives

..7

17
w w w
dt
dV
+ =
2 1

wx x w x w
dt
dVx
+ =
2 2 1 1

( )
dt
dV
x
dt
dx
V
dt
Vx d
+ =
wx x w x w
dt
dV
x
dt
dx
V + = +
2 2 1 1

U
n
i
t

6

Substitution of the mass balance in (7) for in (4) gives:

..8

After canceling common terms and rearranging (4) and (5) in
8, a more convenient model form is obtained:


18
( ) wx x w x w w w w x
dt
dx
V + = + +
2 2 1 1 2 1

( )
( ) ( ) x x
V
w
x x
V
w
dt
dx
w w w
dt
dV
+ =
+ =
2
2 1
2 1
1
1

U
n
i
t

6