CH-401 | Process Modelling & Simulation

Fall Semester 2020

Modelling Basics
Lectures 4-6

Dr. Fahim Uddin

Assistant Professor
Department of Chemical Engineering
NED University of Engineering & Technology
Modelling – General Steps

1. State the modelling objectives and the end use of the model. (required
model detail & accuracy)

2. Draw a schematic diagram of the process and label all process

variables.

3. List all of the assumptions that are involved in developing the model.
(Parsimony)

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 2

Modelling – General Steps

4. Determine whether spatial variations of process variables are important.

(partial differential equation model)

5. Write appropriate conservation equations (mass, component, energy).

6. Introduce equilibrium relations & other algebraic equations (from

thermodynamics, transport phenomena, kinetics, equipment geometry,
etc.).

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 3

Modelling – General Steps

7. Perform degrees of freedom analysis. (Can the model Eqs be solved?)

8. Simplify the model.

i. Arrange the equations so that the
Dependent variables on the Left ←, → Independent variables on the Right.

ii. Convenient for computer simulation and subsequent analysis.

9. Classify the process variables.

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 4

Illustrative Example

w1, x1 w2, x2
Blending Process

A stirred tank blending system is shown in

V
Figure 1. Develop dynamic model of the
system.
w, x

Figure 1: Stirred tank blending system

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 5

Illustrative Example

Solution
Assumptions
• Perfect mixing, composition inside the tank = composition at the outlet
• For liquid systems density is assumed constant
Total Mass Balance
d ( V )
 w1  w2  w (1)
dt
where w1, w2, and w are mass flow rates.
Assuming constant ρ, (1) can be simplified to
dV
  w1  w2  w (2)
dt
CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 6
Illustrative Example

Component balance
d ( Vx)
 w1 x1  w2 x2  wx (3)
dt
for constant ρ, Eq. 3 becomes:
d (Vx)
  w1 x1  w2 x2  wx (4)
dt
Eq. 4 can be simplified by expanding the accumulation term using the “chain rule” for
differentiation of a product:
d (Vx) dx dV
  V  x (5)
dt dt dt

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 7

Illustrative Example

Substitution of (5) into (4) gives:

dx dV
V  x  w1 x1  w2 x2  wx (6)
dt dt
Substitution of the mass balance equation (2) in (6) gives:
dx
V  ( w1  w2  w) x  w1 x1  w2 x2  wx (7)
dt
After canceling common terms and rearranging (7) a more convenient model form is
obtained:

dx w1 w2
 ( x1  x )  ( x2  x) (8)
dt V V

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 8

Illustrative Example

Summary
The dynamic model of the blending process is

Process variables : V, w1, w2, w, x, x1, x2

dV
  w1  w2  w (2) Input variables
dt Manipulated Variables (MV) : w 1, w
dx w1 w2 Disturbance Variables (DV) : w 2, x 1, x 2
 ( x1  x )  ( x 2  x) (8) Output variables
dt V V
Controlled Variables (CV) : V, x
Parameter :

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 9

Illustrative Example

The corresponding steady state equations are

0  w1  w2  w (9)
0  w1 ( x1  x )  w2 ( x2  x ) (10)
The degrees of freedom
E2
V 7
f  72 5

The disturbances w2, x1 and x2 are determined by the surrounding and the two manipulated
variables w2 and w are specified by the controller. In this condition, the model is exactly
specified and the system can be controlled.

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 10

Illustrative Example

w1, x1 w2, x2
Blending Process

A stirred tank blending system is shown in

V
Figure 1. Develop dynamic model of the
system.
w, x

Figure 1: Stirred tank blending system

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 11

Illustrative Example

Solution
Assumptions
• Perfect mixing, composition inside the tank = composition at the outlet
• For liquid systems density is assumed constant
Total Mass Balance
d ( V )
 w1  w2  w (1)
dt
where w1, w2, and w are mass flow rates.
Assuming constant ρ, (1) can be simplified to
dV
  w1  w2  w (2)
dt
CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 12
Illustrative Example

Component balance
d ( Vx)
 w1 x1  w2 x2  wx (3)
dt
for constant ρ, Eq. 3 becomes:
d (Vx)
  w1 x1  w2 x2  wx (4)
dt
Eq. 4 can be simplified by expanding the accumulation term using the “chain rule” for
differentiation of a product:
d (Vx) dx dV
  V  x (5)
dt dt dt

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 13

Illustrative Example

Substitution of (5) into (4) gives:

dx dV
V  x  w1 x1  w2 x2  wx (6)
dt dt
Substitution of the mass balance equation (2) in (6) gives:
dx
V  ( w1  w2  w) x  w1 x1  w2 x2  wx (7)
dt
After canceling common terms and rearranging (7) a more convenient model form is
obtained:

dx w1 w2
 ( x1  x )  ( x2  x) (8)
dt V V

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 14

Illustrative Example

Summary
The dynamic model of the blending process is

Process variables : V, w1, w2, w, x, x1, x2

dV
  ___________
w1  w2  w (2) Input variables
dt ρ Manipulated Variables (MV) : w 1, w
dx w1 w2 Disturbance Variables (DV) : w 2, x 1, x 2
 ( x1  x )  ( x 2  x) (8) Output variables
dt V V
Controlled Variables (CV) : V, x
Parameter :

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 15

Illustrative Example

The corresponding steady state equations are

0  w1  w2  w (9)
0  w1 ( x1  x )  w2 ( x2  x ) (10)
The degrees of freedom
E2
V 7
f  72 5

The disturbances w2, x1 and x2 are determined by the surrounding and the two manipulated
variables w2 and w are specified by the controller. In this condition, the model is exactly
specified and the system can be controlled.

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 16

Illustrative Example

w1 V, w1, w2, w, x, x1, x2

dV
w2
  w1  w2  w V
w dt

w1

x1
dx w1 w2
x2  ( x1  x )  ( x2  x) x
dt V V

w2

CH-401 | Process Modelling & Simulation | Dr Fahim Uddin 17