Izmir Institute of Technology

Dept. of ChE

ChE 402 – Process

Dynamics and Control

Chapter 2 – Dynamic
models of processes

Asst. Prof. Dr. Can Kızılkaya

Summary of last week

• We have outlined the rules and procedures of the

class from the syllabus.

• We have explained why and when process control is

necessary.

• We have defined the main concepts related to the

course.

• We have desribed major types of control schemes,

process control diagrams,equipment and control
systems development.
Learning objectives for Chapter02

• Explain why dynamic models are necessary for

process control,

• Outline the systematic approach for deriving

dynamic models,

• Perform degrees of freedom analysis,

• Develop dynamic models for representative

processes in Chem. Eng. from first principles.
Quote of the week

• Any fool can know. The point is to understand.

• Albert Einstein
• 1879 – 1955
Modelling of systems

• Model: An approximation of a real system

• 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”

• A set of equations whose solution provides physical

behaviour of the system being modelled.

• Everything should be made as simple as possible,

but no simpler.
Why do we need mathematical models?

• to improve understanding of the process

• to optimize process design/operating conditions
• to design a control strategy for the process
• to train operating personnel
Types of models

• (a) Fundamental (first-principles/global/theoretical)

models are developed using the principles of chemistry,
physics, and biology.

• (b) Empirical models are obtained by fitting experimental

data.

• (c) Semi-empirical models are a combination of the

models in categories (a) and (b); the numerical values of
one or more of the parameters in a theoretical model are
calculated from experimental data.
Fundamental models

• Model is formed by theoretical analysis:

 Material/energy balances
 Heat, mass, and momentum transfer
 Thermodynamics, chemical kinetics
 Physical property relationships

• Model complexity must be determined

(assumptions)
 Fundamental models

Advantages Disadvantages

• provide physical insight into • tend to be expensive and

process behavior. time-consuming to develop.
• applicable over wide • are computationally
ranges of conditions (good expensive.
for extrapolation and scale- • typically include some
up). model parameters that are
not readily available, such
• do not require experimental as reaction rate
data to obtain (data coefficients, physical
required for validation and properties, or heat transfer
fitting). coefficients.
Other models

 Black box (empirical)

• Large number of unknown parameters
• Can be obtained quickly (e.g., linear regression)
• Model structure is subjective
• Dangerous to extrapolate
 Semi-empirical
• Compromise of first two approaches
• Model structure may be simpler
• Typically 2 to 10 physical parameters estimated
(nonlinear regression)
• Good versatility, can be extrapolated
• Can be run in real-time
General modelling 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
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.
Conservation Laws - Mass

• Theoretical models of chemical processes are based on

conservation laws.

Conservation of Mass
 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 
Conservation Laws - Energy

• 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 

   
 accumulation   by convection   by convection 

net rate of heat addition   net rate of work 

   
  to the system from   performed on the system  (2-8)
 the surroundings   by the surroundings 
   

The total energy of a thermodynamic system, Utot, is the sum of its

internal energy, kinetic energy, and potential energy:

U tot  U int  U KE  U PE (2-9)

Illustrative example – Blending Process

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 
Illustrative example – Blending Process

or
d Vρ 
 w1  w2  w (2-2)
dt
where w1, w2, and w are mass flow rates.

• The unsteady-state component balance is:

d Vρx 
 w1 x1  w2 x2  wx (2-3)
dt

The corresponding steady-state model was derived in Ch. 1 (cf.

Eqs. 1-1 and 1-2).
0  w1  w2  w (2-4)
0  w1x1  w2 x2  wx (2-5)
Illustrative example – Blending Process

or
d Vρ 
 w1  w2  w (2-2)
dt
where w1, w2, and w are mass flow rates.

• The unsteady-state component balance is:

d Vρx 
 w1 x1  w2 x2  wx (2-3)
dt

The corresponding steady-state model was derived in Ch. 1 (cf.

Eqs. 1-1 and 1-2).
0  w1  w2  w (2-4)
0  w1x1  w2 x2  wx (2-5)
Blending Process revisited

For constant  , Eqs. 2-2 and 2-3 become:

dV
  w1  w2  w (2-12)
dt
 d Vx 
 w1 x1  w2 x2  wx (2-13)
dt

Equation 2-13 can be simplified by expanding the accumulation

term using the “chain rule” for differentiation of a product:
d Vx  dx dV
  V  x (2-14)
dt dt dt
Substitution of (2-14) into (2-13) gives:
dx dV
V   x  w1 x1  w2 x2  wx (2-15)
dt dt
Blending Process revisited

Substitution of the mass balance in (2-12) for  dV/dt in (2-15)

gives:
dx
V  x  w1  w2  w   w1x1  w2 x2  wx (2-16)
dt
After canceling common terms and rearranging (2-12) and (2-16),
a more convenient model form is obtained:

dV 1
  w1  w2  w  (2-17)
dt 
dx w1 w2
  x1  x    x2  x  (2-18)
dt V  V
Blending Process revisited

Substitution of the mass balance in (2-12) for  dV/dt in (2-15)

gives:
dx
V  x  w1  w2  w   w1x1  w2 x2  wx (2-16)
dt
After canceling common terms and rearranging (2-12) and (2-16),
a more convenient model form is obtained:

dV 1
  w1  w2  w  (2-17)
dt 
dx w1 w2
  x1  x    x2  x  (2-18)
dt V  V
Responses of the blending process
Systematic approach for developing dynamic models
Degrees of freedom (DOF) analysis
DOF analysis

• 1. NF = 0: The process model is exactly specified. If NF = 0,

then the number of equations is equal to the number of
process variables and the set of equations has a solution.

• 2. NF > 0: The process is underspecified. If NF > 0, then

Nv > NE, so there are more process variables than equations.
Consequently, the NE equations have an infinite number of
solutions, because NF process variables can be specified
arbitrarily.

• 3. NF < 0: The process model is overspecified. For NF < 0,

there are fewer process variables than equations, and
consequently the set of equations has no solution.
Degrees of freedom (DOF) analysis
DOF analysis – Blending Process

dV 1
  w1  w2  w  (2-17)
dt 
dx w1 w2
  x1  x    x2  x  (2-18)
dt V  V
• Process variables: V, ρ, w, w1, w2, x, x1, x2

• Assumptions: V and ρ are constant. x2 =1.

• Parameters (constants): V, ρ, x2.

DOF analysis – Blending Process

dV 1
  w1  w2  w  (2-17)
dt 
dx w1 w2
  x1  x    x2  x  (2-18)
dt V  V
• Process variables after assumptions: x,x1,w1,w2

• Number of variables: 4

• Number of equations : 1

• DOF = 3
DOF analysis – Blending Process

dV 1
  w1  w2  w  (2-17)
dt 
dx w1 w2
  x1  x    x2  x  (2-18)
dt V  V
• DOF = 3
• 1 output variable: x
• 3 input variables: x1, w1, w2

• Disturbance variables: x1, w1

• Manipulated variable: w2
DOF analysis – Blending Process 2

dV 1
  w1  w2  w  (2-17)
dt 
dx w1 w2
  x1  x    x2  x  (2-18)
dt V  V

• Assumptions: Only ρ constant

• Number of variables: V, w1, w2, w, x1, x2, x

• Number of equations : 2
• DOF = 5
• Output variables: 2 (V and x)
• Input variables: 5 (w1, w2, w, x1, x2)
DOF analysis – Blending Process 2

dV 1
  w1  w2  w  (2-17)
dt 
dx w1 w2
  x1  x    x2  x  (2-18)
dt V  V

• DOF = 5
• 3 disturbance variables:
• w1, x1, x2
• 2 manipulated variables:
• w and w2
Linearity of the model ?

dV 1
  w1  w2  w  (2-17)
dt 
dx w1 w2
  x1  x    x2  x  (2-18)
dt V  V

• A linear model cannot contain any nonlinear

combinations of variables (for example, a product of two
variables) or any variable raised to a power other than
one.
Example: Stirred tank heating process

Stirred-tank heating process with constant holdup, V.

Example: Stirred tank heating 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.
Example: Stirred tank heating process

U tot  U int  U KE  U PE (2-9)

For the processes and examples considered in this course, 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
compared to the rates of heat transfer and convection.
For these reasonable assumptions, the energy balance in
Eq. 2-9 can be written as:
Example: Stirred tank heating process

dU int 
dt

  wH  Q (2-10)

  denotes the difference

U int  the internal energy of
between outlet and inlet
the system conditions of the flowing

H  enthalpy per unit mass streams; therefore

w  mass flow rate  
-Δ wH = rate of enthalpy of the inlet
Q  rate of heat transfer to the system stream(s) - the enthalpy
of the outlet stream(s)
Example: Stirred tank heating process

? ?
dU int 
dt
 
  wH  Q (2-10)

  denotes the difference

U int  the internal energy of
between outlet and inlet
the system conditions of the flowing

H  enthalpy per unit mass streams; therefore

w  mass flow rate  
-Δ wH = rate of enthalpy of the inlet
Q  rate of heat transfer to the system stream(s) - the enthalpy
of the outlet stream(s)
Example: Stirred tank heating process

For a pure liquid at low or moderate pressures, the internal energy

is approximately equal to the enthalpy, Uint  H, and H depends
only on temperature. Consequently, in the subsequent
development, we assume that Uint = H and Uˆ int  Hˆ where the
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, dUˆ int ,

dUˆ int  dHˆ  CdT (2-29)

where C is the constant pressure heat capacity (assumed to be

constant). The total internal energy of the liquid in the tank is:

U int  VUˆ int (2-30)

Example: Stirred tank heating process
An expression for the rate of internal energy accumulation can be
derived from Eqs. (2-29) and (2-30):
dU int dT
 VC (2-31)
dt dt
Note that this term appears in the general energy balance of Eq. 2-10.

dU int 
dt
 
  wH  Q (2-10)
Example: Stirred tank heating process

OK ?
dU int 
dt
 
  wH  Q (2-10)

  denotes the difference

U int  the internal energy of
between outlet and inlet
the system conditions of the flowing

H  enthalpy per unit mass streams; therefore

w  mass flow rate  
-Δ wH = rate of enthalpy of the inlet
Q  rate of heat transfer to the system stream(s) - the enthalpy
of the outlet stream(s)
Example: Stirred tank heating process

Suppose that the liquid in the tank is at a temperature T and has an

enthalpy, Ĥ . Integrating Eq. 2-29 from a reference temperature
Tref to T gives,
ref 
Hˆ  Hˆ  C T  T ref  (2-32)
where Hˆ ref is the value of Ĥ at Tref. Without loss of generality, we
assume that Hˆ ref  0 (see Appendix B). Thus, (2-32) can be
written as:

Hˆ  C T  T ref  (2-33)
Example: Stirred tank heating process
For the inlet stream


Hˆ i  C Ti  Tref  (2-34)

Substituting (2-33) and (2-34) into the convection term of (2-10)

gives:

    
 wHˆ  w C Ti  Tref   w C T  Tref 
     (2-35)

Finally, substitution of (2-31) and (2-35) into (2-10)

dT
V C  wC Ti  T   Q (2-36)
dt
DOF analysis: Stirred tank heating process

3 parameters: V , ,C
4 variables: T , Ti , w, Q
1 equation: Eq. 2-36

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
Examples in your book

• Stirred tank heating – Variable holdup

• Electrically heated stirred tank
• Steam-heated stirred tank
• Liquid storage systems
• Continuous Stirred-Tank Reactor (CSTR)
• Staged systems (A three stage absorber)
• Distributed Parameter Systems (the Double-Pipe
Heat Exchanger)
• Fed-batch bioreactor
Summary

• We have considered the derivation of dynamic models

from first principles, especially conservation equations.
• We have explained why making assumptions are at the
heart of modelling.
• We have summarized a systematic approach for
developing dynamic models.
• We have developed dynamic models for simple
representative processes. Although these illustrative
examples are rather simple, they demonstrate
fundamental concepts that are also valid for more
complicated processes.