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PCT 301T
MODELING

Modelling is used to study the dynamic behaviour, process design,
model-based control, optimization and predictions of the processes.

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

Conservation of Component i

Rate of = rate of rate of + rate of
mass mass in mass out mass
accumulation component i produced
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Conservation of Energy


Rate of = rate of rate of + net rate of
energy energy in by energy out by heat addition
accumulation convection convection to the system

+ net rate of work performed on the system
by the surrounding



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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





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Development of Dynamic Models
Illustrative Example: A Blending Process

FIRST ORDER SYSTEM RESPONSE FOR UNSTEADY STATE
PROCESS

Example 1

Liquid - level system (Mass storage)

Objective is to measure the height level (h) of the system and
determine the transfer function.
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Assumption made: out flow (Q
0
) is linearly related to the hydrostatic
head of the liquid level through the resistant (R)
Conservation equation: Mass
Accumulation = Input - output
Degree of freedom analysis: 4 -3 = 1
2 input and 2 output






Q
0
h(t)

R
h
Q
i
x(t)

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Accumulation = Input output
out in
m m
dt
dM
- -
=
...Eq(1)
0
) (
- -
= Q Q
dt
Ah d
i
..Eg(2)
R
h
Q
dt
Adh
i
=
-
. ...Eq(3)

( ) ( ) R Q h
dt
dh
RA
i
-
= +
..Eq(4)
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Apply Laplace transformation in Eq (4)
And find the transfer function.

1 1 ) (
) (
+
=
+
=
s
K
RAs
R
s X
s H
p
t
...Eq(5)

Apply the inverse to determine the process response


DO EXAMPLE (B) FROM YOUR NOTES
Process Gain (K
p
)
Process time
(tau)
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Example 2

Consider a perfectly mixed stirred-tank heater; with a single feed
streams and a single product stream, as shown below. Assuming that
the flow rate and temperature of the inlet streams can vary, that the
tank is perfectly insulated, and the rate of heat, Q added per unit time
can vary, heat losses are negligible, density and heat capacity of the
liquid are assumed to be constant. Develop a mathematical model to
find the tank liquid temperature as a function of time and its time
response when the inputs are subjected to the step change.
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Fig: 1 Stirred tank heating process with constant volume.

Objective is to measure the temperature (T) of the system and
determine the transfer function.
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Assumption made: the outlet and the inlet flow are equal, volume,
density and the heat capacity of the liquid are constant and heat losses
are negligible.
Conservation equation: Energy
Rate of = rate of rate of + net rate of
energy energy in by energy out by heat addition
accumulation convection convection to the system

+ net rate of work performed on the system
by the surrounding

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( ) ( ) W Q T fC T fC
dt
dH
p i p
+ =
.Eq(1)
( ) ( ) Q T T fC
dt
dT
C V
i p p
+ =
...Eq(2)
( ) Q T fC fCpT
dt
dT
C V
i p p
+ = +
.Eq(3)
Q
f C
T T
dt
dT
f C
C V
p
i
p
p
1
+ = +
|
|
.
|

\
|

...Eq(4)
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( ) Q
f C
T T
dt
dT
f C
C V
p
i
p
p
|
|
.
|

\
|
+ = +
|
|
.
|

\
|
1
1

Apply the Laplace transformation and find the transfer function

So,
Q
s
f
V
f C
s T
s
f
V
s T
p
i
1
1
) (
1
1
) (
+
|
|
.
|

\
|
+
+
|
|
.
|

\
|
=

...Eq(5)
Process time
(tau)
Process Gain (K
p2
)
Process Gain (K
p1
)
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) (
1
) (
1
) (
2 1
s Q
s
K
s T
s
K
s T
p
i
p
+
+
+
=
t t
...Eq(6)

Two transfer functions

T.F 1
1 ) (
) (
1
+
=
s
K
s T
s T
p
i
t


T.F 2
1 ) (
) (
2
+
=
s
K
s Q
s T
p
t

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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

=
` ` `
) ) )
( )
1 2

(2-2)
d V
w w w
dt
= +
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The corresponding steady-state model


The Blending Process Revisited
For constant density:

1 2
1 1 2 2
0 (2-4)
0 (2-5)
w w w
w x w x wx
= +
= +
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Equation 2-7 can be simplified by expanding the accumulation term using the
chain rule for differentiation of a product:

Substitution of (2-7) into (2-8) gives:

Substitution of the mass balance in (2-6) for in (2-9) gives:
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After canceling common terms and rearranging (2-6) and (2-10), a more
convenient model form is obtained:

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Typical question
A stirred-tank heating process described by
) (
1
1
) ( '
1
/ 1
) ( '
'
s T
s
w
m
s Q
s
w
m
wC
s T
i
+
+
+
=
, is used to
preheat a reactant containing a suspended solid catalyst at a constant flow rate of 1000
kg/h. the volume in the tank is 2 m
3
, and the density and specific heat of the suspended
mixture are, respectively, 900 kg/m
3
and 1 cal/g
0
C. The process initially is operating
with inlet and outlet temperature of 100 and 130
0
C. The following questions concerning
process operations are posed:
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(a) What is the heater input at the initial steady state and the value of K and
TAU?
(b) If the heater input is increased by 30%, how long will it take for the tank
temperature to achieve 99% of the final temperature change?
Assume the tank is at its initial steady state. If the inlet temperature in increased
suddenly from 100 to 120
0
C, how long will it take before the outlet temperature
changes from 130 to 135
0
C.