PROCESS INSTRUMENTATION
AND CONTROL
(CHE1021U)
CHAPTER 2. Modelling of Chemical
Processes
Introduction
In the chemical industry, the design of a control system is
essential to ensure:
– Good Process Operation
– Process Safety
– Product Quality
– Minimization of Environmental Impact
Development of Dynamic Models
Illustrative Example: A Blending Process
Chapter 2
An unsteady-state mass balance for the blending system:
3
or
where w1, w2, and w are mass flow rates.
Chapter 2
The unsteady-state component balance is:
The corresponding steady-state model was derived in Ch. 1 (cf.
Eqs. 1-1 and 1-2).
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General Modeling Principles
• The model equations are at best an approximation to the real
process.
• Adage: “All models are wrong, but some are useful.”
• Modeling inherently involves a compromise between model
Chapter 2
accuracy and complexity on one hand, and the cost and effort
required to develop the model, on the other hand.
• Process modeling is both an art and a science. Creativity is
required to make simplifying assumptions that result in an
appropriate model.
• Dynamic models of chemical processes consist of ordinary
differential equations (ODE) and/or partial differential equations
(PDE), plus related algebraic equations.
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Table 2.1. A Systematic Approach for
Developing Dynamic Models
1. State the modeling objectives and the end use of the model.
They determine the required levels of model detail and model
accuracy.
Chapter 2
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.
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).
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Table 2.1. (continued)
6. Introduce equilibrium relations and other algebraic
equations (from thermodynamics, transport phenomena,
chemical kinetics, equipment geometry, etc.).
7. Perform a degrees of freedom analysis (Section 2.3) to
Chapter 2
ensure that the model equations can be solved.
8. Simplify the model. It is often possible to 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 inputs as disturbance variables or as manipulated
variables.
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Table 2.2. Degrees of Freedom Analysis
1. List all quantities in the model that are known constants (or
parameters that can be specified) on the basis of equipment
dimensions, known physical properties, etc.
Chapter 2
2. Determine the number of equations NE and the number of
process variables, NV. Note that time t is not considered to be a
process variable because it is neither a process input nor a
process output.
3. Calculate the number of degrees of freedom, NF = NV - NE.
4. Identify the NE output variables that will be obtained by solving
the process model.
5. Identify the NF input variables that must be specified as either
disturbance variables or manipulated variables, in order to
utilize the NF degrees of freedom.
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Conservation Laws
Theoretical models of chemical processes are based on
conservation laws.
Conservation of Mass
Chapter 2
Conservation of Component i
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Conservation of Energy
The general law of energy conservation is also called the First
Law of Thermodynamics. It can be expressed as:
Chapter 2
The total energy of a thermodynamic system, Utot, is the sum of its
internal energy, kinetic energy, and potential energy:
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For the processes and examples considered in this book, it
is appropriate to make two assumptions:
1. Changes in potential energy and kinetic energy can be
neglected because they are small in comparison with changes
in internal energy.
2. The net rate of work can be neglected because it is small
Chapter 2
compared to the rates of heat transfer and convection.
For these reasonable assumptions, the energy balance in
Eq. 2-8 can be written as
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The analogous equation for molar quantities is,
where is the enthalpy per mole and is the molar flow rate.
Chapter 2
In order to derive dynamic models of processes from the general
energy balances in Eqs. 2-10 and 2-11, expressions for Uint and
or are required, which can be derived from thermodynamics.
The Blending Process Revisited
For constant , Eqs. 2-2 and 2-3 become:
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Equation 2-13 can be simplified by expanding the accumulation
term using the “chain rule” for differentiation of a product:
Substitution of (2-14) into (2-13) gives:
Chapter 2
Substitution of the mass balance in (2-12) for in (2-15)
gives:
After canceling common terms and rearranging (2-12) and (2-16),
a more convenient model form is obtained:
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Chapter 2 Stirred-Tank Heating Process
Figure 2.3 Stirred-tank heating process with constant holdup, V.
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Stirred-Tank Heating Process (cont’d.)
Assumptions:
1. Perfect mixing; thus, the exit temperature T is also the
Chapter 2
temperature of the tank contents.
2. The liquid holdup V is constant because the inlet and outlet
flow rates are equal.
3. The density and heat capacity C of the liquid are assumed to
be constant. Thus, their temperature dependence is neglected.
4. Heat losses are negligible.
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Model Development - I
For a pure liquid at low or moderate pressures, the internal energy
is approximately equal to the enthalpy, Uint , and H depends
only on temperature. Consequently, in the subsequent
development, we assume that Uint = H and where the
Chapter 2
caret (^) means per unit mass. As shown in Appendix B, a
differential change in temperature, dT, produces a corresponding
change in the internal energy per unit mass,
where C is the constant pressure heat capacity (assumed to be
constant). The total internal energy of the liquid in the tank is:
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Model Development - II
An expression for the rate of internal energy accumulation can be
derived from Eqs. (2-29) and (2-30):
Chapter 2
Note that this term appears in the general energy balance of Eq.
2-10.
Suppose that the liquid in the tank is at a temperature T and has an
enthalpy, . Integrating Eq. 2-29 from a reference temperature
Tref to T gives,
where is the value of at Tref. Without loss of generality, we
assume that (see Appendix B). Thus, (2-32) can be
written as:
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Model Development - III
For the inlet stream
Chapter 2
Substituting (2-33) and (2-34) into the convection term of (2-10)
gives:
Finally, substitution of (2-31) and (2-35) into (2-10)
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Degrees of Freedom Analysis for the Stirred-Tank
Model:
3 parameters:
4 variables:
1 equation: Eq. 2-36
Chapter 2
Thus the degrees of freedom are NF = 4 – 1 = 3. The process
variables are classified as:
1 output variable: T
3 input variables: Ti, w, Q
For temperature control purposes, it is reasonable to classify the
three inputs as:
2 disturbance variables: Ti , w
1 manipulated variable: Q
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Process Modeling
Students are instructed by lecturer to study the
following cases of mathematical modelling of
chemical process:
2.4.2 Stirred-Tank Heating Process:
Variable Holdup
2.4.5 Liquid Storage Systems
2.4.6 The Continuous Stirred-Tank
Reactor (CSTR)
Process Modeling
Fo Gravity tank (revisited)
h
F
L
Objectives: height of liquid in tank
Fundamental quantity: Mass, momentum
Assumptions:
– Outlet flow is driven by head of liquid in the tank
– Incompressible flow (constant density)
– Plug flow in outlet pipe
– Turbulent flow
Process Modeling
Material balance equation
Energy balance equation = Bernoulli equation
Where: eL = energy loss (due to friction when fluid moves
along the pipe, or when fluid goes through valves, etc…)
Process Modeling
We have:
P1 = P2 = 1 atm
v1 = 0, v2 = v (v varies with height of liquid)
z2 = 0 ; z1 = h
The energy loss is given by the following expression:
KF is an coefficient to determine the energy loss. KF is
a function of Reynolds number so it is a function of
velocity: KF = KF(v)
Process Modeling
Thus, from Bernoulli equation:
Then:
Process Modeling
Process Modeling
Thus, the model for gravity tank include two
differential equations:
