Chapter Two

Process Modeling
Mathematical Model (Eykhoff, 1974)

•“a representation of the essential aspects of an existing

system (or a system to be constructed) which represents
knowledge of that system in a usable form”
 General modeling principle

•The model equations are at best an approximation to the real

process. Modeling inherently involves a compromise between
model 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 processes consist of ordinary differential
equations (ODE) and/or partial differential equations (PDE), plus
related algebraic equations.
 A Systematic Approach for Developing Dynamic
Models
•State the modeling objectives and the end use of the model.
•Draw a schematic diagram of the process and label all process
variables.
•List all of the assumptions that are involved in developing the
model. The model should be no more complicated than necessary
to meet the modeling objectives.
• Write appropriate conservation equations (mass, component, energy,
and so forth).
A Systematic Approach for Developing Dynamic
Models
•Introduce equilibrium relations and other algebraic
equations (from thermodynamics, transport phenomena,
chemical kinetics, equipment geometry, etc.).
•Perform a degrees of freedom analysis to ensure that the
model equations can be solved.
•Simplify the model.
•Classify inputs as disturbance variables or as manipulated
variables.
Modeling Approaches:

▪Material/energy balances
▪Heat, mass, and momentum transfer
▪Thermodynamics, chemical kinetics
Conservation of mass, momentum and energy

•To describe a process system we need a set of variables that

characterize the system and a set of relationships that describe
how these variables interact and change with time.
•The principle of conservation is based on the fundamental physical
law that mass, energy and momentum can neither be formed from
nothing nor disappear in to nothing.
 Theoretical models of processes are based on
conservation laws.
•Conservation Conservation of Mass
Laws
 rate of mass  rate of mass  rate of mass 
 = −  (2-6)
accumulation   in   out 
Conservation of Component i
rate of component i  rate of component i 
 = 
 accumulation   in 

rate of component i  rate of component i 

− +  (2-7)
 out   produced 
 The general law of energy conservation is also called the
First Law of Thermodynamics. It can be expressed as:
rate of energy  rate of energy in  rate of energy out 
Conservation  = − 
 accumulation   by convection   by convection 
of Energy
net rate of heat addition   net rate of work 
   
+  to the system from  + performed on the system  (2-8)
 the surroundings   by the surroundings 
   
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
Importance of process modeling: heat exchanger as an
example
Importance of process modeling: heat exchanger as an
example

•The controller’s job is to control the process. In the

example at hand, the controller is to take action that
keeps the outlet temperature, T(t), at a specified value, its
set point. However, the controller receives a signal from
the transmitter. It is through the transmitter that the
controller “sees” the controlled variable. Thus,
realistically, as far as the controller is concerned, the
controlled variable is the transmitter output (TO).
Importance of process modeling: heat exchanger as an
example

•In this example, the controller is to manipulate the steam

valve position to maintain the controlled variable at set
point. Note, however, that the way the controller
manipulates the valve position is by changing its output
signal to the valve. The controller does not manipulate
the valve position directly; it manipulates only its output
signal. Thus, as far as the controller is concerned, the
manipulated variable is its own output (CO).
Importance of process modeling: heat exchanger as an
example

•We can now define the process as anything between the

controller output (CO) and the controller input.
•the process is anything within the area delineated by the
solid curve on the figure.
•The process includes the I/P transducer, the valve, the
heat exchanger with associated piping, the sensor, and
the transmitter.
 The output signal from the
controller (CO) enters the I/P
transducer, producing a
pneumatic signal. This signal then
goes to the valve (V), producing a
steam flow. This flow enters the
heat exchanger (H.E.) and, along
Thus the diagram clearly shows that as far with other process inputs,
as the controller is concerned, the produces an output temperature
controlled variable is the transmitter’s T(t). This temperature is
output (TO) and the manipulated variable measured by a sensor (S), and
is the controller’s output (CO). the output signal from the
sensor, maybe in millivolts, is
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received by the transmitter (T),
which produces a signal (TO) to
the controller.
Example 1 : Thermal Process

Goal: To develop a mathematical model and

transfer function that Describes how the
outlet temperature 𝑇(𝑡) responds to changes
In the inlet temperature 𝑇𝑖 𝑡
Thermal Process

•Assumptions:
1.Perfect mixing; thus, the exit temperature T is also the
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 (the tank is well insulated) .
5. Changes in potential energy and kinetic energy can be
neglected because they are small in comparison with changes
in internal energy.
6.The net rate of work can be neglected because it is small
compared to the rates of heat transfer and convection. (energy
input by stirrer is negligible)
•From energy balance equation
𝒓𝒂𝒕𝒆 𝒐𝒇
𝒂𝒄𝒄𝒖𝒎𝒖𝒍𝒂𝒕𝒊𝒐𝒏
𝒐𝒇 𝒆𝒏𝒆𝒓𝒈𝒚 𝒊𝒏 𝒕𝒂𝒏𝒌
𝒓𝒂𝒕𝒆 𝒐𝒇 𝒆𝒏𝒆𝒓𝒈𝒚 𝒓𝒂𝒕𝒆 𝒐𝒇 𝒆𝒏𝒆𝒓𝒈𝒚
= −
𝒊𝒏 𝒕𝒐 𝒕𝒂𝒏𝒌 𝒐𝒖𝒕 𝒐𝒇 𝒕𝒂𝒏𝒌

𝒅(𝑽𝝆𝒖 𝒕 )ൗ
𝒇𝝆𝒊 𝒉𝒊 𝒕 − 𝒇𝝆𝒉 𝒕 = 𝒅𝒕
•Where:
•𝒇 = 𝒗𝒐𝒍𝒖𝒎𝒆𝒕𝒓𝒊𝒄 𝒇𝒍𝒐𝒘 𝒓𝒂𝒕𝒆, 𝒎𝟑 Τ𝒔
•𝝆, 𝝆𝒊 = 𝒐𝒖𝒕𝒍𝒆𝒕 𝒂𝒏𝒅 𝒊𝒏𝒍𝒆𝒕 𝒍𝒊𝒒𝒖𝒊𝒅 𝒅𝒆𝒏𝒔𝒊𝒕𝒊𝒆𝒔 𝑲𝒈Τ𝒎𝟑
•𝑽 = 𝒗𝒐𝒍𝒖𝒎𝒆 𝒐𝒇 𝒍𝒊𝒒𝒖𝒊𝒅 𝒊𝒏 𝒕𝒂𝒏𝒌 𝒊𝒏 𝒎𝟑
•𝒉 𝒕 , 𝒉𝒊 𝒕 = 𝒐𝒖𝒕𝒍𝒆𝒕 𝒂𝒏𝒅 𝒊𝒏𝒍𝒆𝒕 𝒍𝒊𝒒𝒖𝒊𝒅 𝒆𝒏𝒕𝒉𝒂𝒍𝒑𝒊𝒆𝒔 𝒊𝒏 𝑱Τ𝑲𝒈
•𝑼 𝒕 = 𝒊𝒏𝒕𝒆𝒓𝒏𝒂𝒍 𝒆𝒏𝒆𝒓𝒈𝒚 𝒐𝒇 𝒍𝒊𝒒𝒖𝒊𝒅 𝒊𝒏 𝒕𝒂𝒏𝒌 𝒊𝒏 𝑱Τ𝑲𝒈
•In terms of temperatures, using as reference state for u(t) and h(t),
𝒅(𝑽𝝆𝑪𝒗 𝑻 𝒕 )ൗ
𝒇𝝆𝒊 𝑪𝒑𝒊 𝑻𝒊 𝒕 − 𝒇𝝆𝑪𝒑 𝑻 𝒕 = 𝒅𝒕
𝑪𝒑𝒊 , 𝑪𝒑 = inlet and outlet liquid heat capacities at constant pressure,
respectively, J/kg- ˚C
𝑪𝒗 = liquid heat capacity at constant volume, J/kg- ˚C
𝑻𝒊 𝒕 , 𝑻 𝒕 = inlet and outlet temperatures, respectively, in ˚C
•Because the densities and the heat capacities are assumed
constant over the operating temperature range, the last equation
can be written as:
𝑓𝜌𝐶𝑝 𝑇𝑖 𝑡 − 𝑓𝜌𝐶𝑝 𝑇 𝑡 = 𝑉𝜌𝐶𝑣 𝑑𝑇 𝑡 ൗ𝑑𝑡 Eq(*)
This equation is a first-order linear ordinary differential equation
that provides the relationship between the inlet and outlet
temperatures. It is important to note that in this equation there is
only one unknown, T(t).
•The solution of this differential equation yields the response of
the outlet temperature as a function of time.
•We begin by making a variable change that simplifies
development of the required transfer function. Write a steady-
state energy balance on the contents of the tank at the initial
conditions.
𝑓𝜌𝐶𝑝 𝑇ത𝑖 − 𝑓𝜌𝐶𝑝 𝑇ത = 0 Eq(**)
Subtracting Eq(**) from Eq(*)
𝑑(𝑇 𝑡 − ത
𝑇)
𝑓𝜌𝐶𝑝 (𝑇𝑖 𝑡 − 𝑇ത𝑖 ) − 𝑓𝜌𝐶𝑝 (𝑇 𝑡 − 𝑇)ത = 𝑉𝜌𝐶𝑣 ൗ
𝑑𝑡
•we now define the following deviation variables
Γ 𝑡 = 𝑇 𝑡 − 𝑇ത
Γ𝑖 𝑡 = 𝑇𝑖 𝑡 − 𝑇ത𝑖
ത 𝑇ത𝑖 = initial steady-state values of outlet and inlet temperatures,
𝑇,
respectively, ˚C
Γ 𝑡 , Γ𝑖 𝑡 = deviation variables of outlet and inlet temperatures,
respectively, ˚C
𝑓𝜌𝐶𝑝 Γ𝑖 𝑡 − 𝑓𝜌𝐶𝑝 Γ 𝑡 = 𝑉𝜌𝐶𝑣 𝑑Γ 𝑡 ൗ
𝑑𝑡
•The solution of this equation yields the deviation variable Γ 𝑡
versus time for a certain input Γ𝑖 𝑡 . If the actual outlet
temperature, T(t), is desired, the steady-state value 𝑇ത must be
added to Γ 𝑡 .
𝑉𝐶𝑣 𝑑Γ 𝑡
Γ𝑖 𝑡 − Γ 𝑡 = ൗ
𝑓𝐶𝑝 𝑑𝑡
Applying laplace transform :
𝑉𝐶𝑣
Γ𝑖 𝑠 − Γ 𝑠 = (𝑠Γ 𝑠 − Γ 0 )
𝑓𝐶𝑝
• At zero initial conditions, Γ 0 = 0.
𝑉𝐶𝑣
Γ𝑖 𝑠 − Γ 𝑠 = 𝑠Γ 𝑠
𝑓𝐶𝑝
𝑉𝐶𝑣
Let τ = , Γ𝑖 𝑠 − Γ 𝑠 = 𝜏𝑠Γ 𝑠
𝑓𝐶𝑝
Γ𝑖 𝑠 = 𝜏𝑠Γ 𝑠 + Γ 𝑠
Γ𝑖 𝑠 = (𝜏𝑠 + 1)Γ 𝑠
Γ 𝑠 1
=
Γ𝑖 𝑠 (𝜏𝑠 + 1)
 1
𝜞𝒊 𝒔 𝜞 𝒔
(𝜏𝑠 + 1)