CCB3013

Chemical Process Dynamics,

Instrumentation and Control

Dr. Nooryusmiza Yusoff

Department of Chemical Engineering
Universiti Teknologi PETRONAS
May 2013
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 Chapter Objectives
End of this chapter, you should be able to:
1. Explain what mathematical models are

2. Explain the needs for modeling of chemical processes

3. Explain the general modeling principles

4. Develop models of simple chemical processes

5. Explain input-output models

6. Determine degrees of freedom of processes

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 Modeling of Chemical Processes
Some Facts about Model
• Mathematical model is the mathematical representation of
an existing system which represents knowledge of that
system in a usable form
• Model should be made as simple as possible, but no simpler
• The model equations are at best an approximation to the real
process.
• Adage: “All models are wrong, but some are useful”
• Inherently involves a compromise between
– model accuracy and complexity
– and the effort required to develop the model

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The Needs for Mathematical Modeling
Design
• Exploring the sizing and arrangement of processing
equipment for dynamic performance

• Studying the interactions of various parts of the process

• Evaluating alternative processes and control strategies

• Simulating start-up, shutdown, and emergency procedures.

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The Needs for Mathematical Modeling
Plant operation
• Troubleshooting and processing problems
• Aiding in start-up and operator training
• Studying the effects of and the requirements for expansion
(bottle-neck removal) projects
• Optimizing plant operation
• It is usually much cheaper, safer, and faster to conduct the
kinds of studies listed above on a mathematical model than
experimentally on an operating unit.
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 General Modeling Principles
1. State the modeling objectives and the end use of the model.
They determine the required levels of model detail and
model 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. Try for parsimony; the model should be no more
complicated than necessary to meet the modeling
objectives.

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 General Modeling Principles
4. Determine whether spatial variations of process variables
are important. If so, a partial differential equation model
will be required.
5. Write appropriate conservation equations (mass,
component, energy, and so forth).
6. Introduce equilibrium relations and other algebraic
equations (from thermodynamics, transport phenomena,
chemical kinetics, equipment geometry, etc.).
7. Perform a degrees of freedom analysis to ensure that the
model equations can be solved.

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 General Modeling Principles
8. Simplify the model.
• Arrange the equations so that the dependent variables
(outputs) appear on the left side and the independent
variables (inputs) appear on the right side.
• This model form is convenient for computer simulation
and subsequent analysis.
9. Classify the process variables.

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 General Modeling Principles
• Modeling by theoretical analysis
• Material/energy balances

• Heat, mass, and momentum transfer

• Thermodynamics, chemical kinetics

• Physical property relationships

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 Principle of Conservation
The principle of conservation of quantity S

1 Q 1 The quantity S can be

2 • Total mass
2 . • Mass of individual component
.. .
. System . • Total energy
N N • Momentum
Ws
Figure 2.1. System
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 Principle of Conservation
Conservation of Mass (Total Mass Balance )

Nomenclature
(2.1) w = mass flow rate
q = volume flow rate
V= volume of the
material in the system
(2.2)

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 Principle of Conservation
Conservation of component i

Balance on component A

(2.3)
Nomenclature
nA = moles of component A
cA = concentration of A of the material within the system
r = rate of reaction per unit volume for component A
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 Principle of Conservation
Total Energy Balance

 
dE
 wi hi  w j h j  Q  Ws (2.4)
dt i:inlet j:outlet

For most chemical engineering processes

 
dU
 wi hi  w j h j  Q  Ws (2.5)
dt i:inlet j:outlet

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 Principle of Conservation
Nomenclature
hi = specific enthalpy of the material in the ith inlet stream

hj = specific enthalpy of the material in the jth outlet stream

U, K, P = internal, kinetic and potential energies of the system

Q = net rate of heat addition to the system from the

surrounding

Ws = Shaft work done on the system by the surrounding

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 Additional Modeling Equations
• Transport Equations
– Heat transfer equations
Q  UAT (2.6)

Q = The rate of heat transfer

A = Total heat transfer area
T= Temperature difference
– Kinetic rate equations
• For simple first order reaction with component A

r  k0 c Ae  E / RT (2.7)

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 Additional Modeling Equations
• Equation of state
– Ideal gas law
nRT  PV (2.8)
– Adiabatic compression

Pv n  constant (2.9)

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 Degree of Freedom
• Degree of freedom :- The independent variables that
must be specified in order to define the process completely.

• The desired control of the process will be achieved when and

only when all the degrees of freedom have been specified.

• The degree of freedom equation

f V  E (2.10)

f= Number degrees of freedom

V= Number of variables
E= Number of Equations
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 Degree of Freedom
According to the value of f, we can distinguish the following cases:

Case 1: If f=0 The solution of the E equations yields unique values for the
V variables. In this case the process is said to be exactly specified.

Case 2: If f >0 Multiple solutions result from the E equations. In this case
the process is said to be underspecified by f equations.

Case 3: If f < 0 We have more equations than variables and in general

there is no solution to the E equations. In this case the process is said to
be overspecified by f equations.

Properly modeled uncontrolled process are generally underspecified

which will be exactly specified when the disturbances and manipulated
variables are specified by the surrounding and the controller respectively.
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 Modeling of Chemical Processes
• Some general assumptions
– In homogeneous systems, perfect mixing is assumed,
therefore the composition and temperature inside the
system is the same as the composition and temperature at
the outlet
– Density of liquid is assumed constant (average value is
used)
– Specific heat (Cp) is assumed constant (average value is
used)
– Kinetic and potential energies are considered negligible for
most chemical processes
– For liquid systems internal energies can be assumed equal
to enthalpies
• U H
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 Illustrative Example
Example .1
A stirred tank blending system is shown in Figure 2.2 below.
Develop a dynamic model of the system.
w1, x1 w2, x2

w, x

Figure 2.2 Stirred tank blending system

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 Illustrative Example
• Solution
Assumptions
– Perfect mixing, therefore the composition inside the tank
is equal to the composition at the outlet
– For liquid systems, density is assumed constant
Total Mass Balance
d ( V )
 w1  w2  w (2.11)
dt
where w1, w2, and w are mass flow rates.
Assuming constant ρ, (2.11) can be simplified to
dV
  w1  w2  w (2.12)
dt
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 Illustrative Example
Component balance

d ( Vx)
 w1 x1  w2 x2  wx (2.13)
dt
for constant ρ, Eq. 2.13 becomes:
d (Vx)
  w1 x1  w2 x2  wx (2.14)
dt
Equation 2.14 can be simplified by expanding the accumulation
term using the “chain rule” for differentiation of a product:
d (Vx) dx dV
  V  x (2.15)
dt dt dt

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 Illustrative Example
Substitution of (2.15) into (2.14) gives:
dx dV
V  x  w1 x1  w2 x2  wx (2.16)
dt dt
Substitution of the mass balance equation (2.12) in (2.16) gives:
dx
V  ( w1  w2  w) x  w1 x1  w2 x2  wx (2.17)
dt
After canceling common terms and rearranging (2.17) a more
convenient model form is obtained:
dx w1 w2
 ( x1  x)  ( x2  x) (2.18)
dt V V

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 Illustrative Examples
Summary
The dynamic models of the blending process are
dV
  w1  w2  w (2.12)
dt
dx w1 w2
 ( x1  x)  ( x2  x) (2.18)
dt V V
Process variables : V, w1, w2, w, x, x1, x2
Input variables
Manipulated Variables (MV) : w1, w
Disturbance Variables (DV) : w2, x1, x2
Output variables
Controlled Variables (CV) : V, x
Parameter :
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 Illustrative Examples
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 w1 and w are
specified by the controller. In this condition, the model is
exactly specified and the system can be controlled.

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 Class Discussion 1 - Question

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 Class Discussion 1 - Answer

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 Class Discussion 1 - Answer

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 Class Discussion 1 - Answer

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 Class Discussion 1 - Answer

Questions:

1. What do you
observe as t  ?
2. Explain t and its
effect on the
process.

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