Process Control III

(PRC300S)

MATHEMATICAL MODELING
(DOF)

Dynamic Models are also referred as

unsteady state models.
These models can be used for;
1. Improve understanding of the process
2. Train plant operating personnel
3. Develop a control strategy for a new process
4. Optimize process operating conditions.

1.

Theoretical Models are developed using the

principles of chemistry, physics and biology.

Advantages:

they provide physical insight into process behavior.

they are applicable over a wide range of conditions.

Disadvantages:

they tend to be time consuming and expensive to

develop.
theoretical models of complex processes include some
model parameters that are not readily available.

2. Empirical Models are obtained by

fitting experimental data.

Advantages:

easier to develop

Disadvantages:

do not extrapolate well

the range of data is usually quite small compared to the
full range of operating conditions.

3. Semi-Empirical Models are a combination of

theoretical and empirical models where the
numerical values of parameters in a theoretical
model are calculated from experimental data.

Advantages:

they incorporate theoretical knowledge

they can be extrapolated over a large range of conditions
they require less development of effort than theoretical
models.

A Systematical Approach for

Modeling
1.

State the modeling objectives and the end use of

the model. Then 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 involved in developing

the model. The model should not be no more
complicated than necessary to meet the modeling
objectives.

4. Determine if spatial variations are important. If

so, a partial differential equation model will be
required.

5. Write appropriate conservation equations (mass,

component, energy etc)
6. Introduce constitutive equations, which are
equilibrium relations and other algebraic
equations
7. Perform a degrees of freedom analysis to ensure
that the model equations can be solved.

8. Simplify the model.

output = f (inputs)
This model form is convenient for computer
simulation and subsequent analysis.

9. Classify inputs as disturbance variables or as

manipulated variables.

Definitions

Spatial variability occurs when a quantity that is measured

at different spatial locations exhibits values that differ across
the locations.

A mathematical model is a description of a system using

mathematical concepts and language. The process of
developing a mathematical model is termed mathematical
modeling

Simulation is the imitation of the operation of a real-world

process or system over time. The act of simulating
something first requires that a model be developed; this
model represents the key characteristics or behaviors of
the selected physical or abstract system or process. The
model represents the system itself, whereas the simulation
represents the operation of the system over time.

Degrees of freedom
To simulate a process, model equations should be
solvable set of relations. In order for a model to
have a unique solution, number of degrees of
freedom should be zero.

Number of
degrees of
freedom

Number of
process
variables

Number of
independent
equations

For Degrees of Freedom Analysis

1.

2.

List all quantities in the model that are known constants

(or parameters).
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.

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.

Summary

if DOF=0

The system is exactly specified

if DOF<0
The system is over specified, and in general no
solution to model exists. The likely cause is either :
(1) improperly designating a variable(s) as a parameter or
external variable or ,
(2) including an extra, dependent equation(s) in the model.
if DOF>0
The system is underspecified, and an infinite
number of solutions to the model exists. The likely cause is
either
(1) improperly designating a parameter or external variable
as a variable or ,
(2) not including in the model all equations that determine
the systems behavior.

Example 1
Consider a continuous stirred tank blending system where
two input systems are blended to produce an outlet stream
that has the desired composition.
Stream 1 is a mixture of two species A and B. We assume
that its mass flow rate is constant but the mass fraction of A
(x1) varies with time.
Stream 2 consists of pure A and thus x2=1. The mass flow
rate of stream 2 (w2) can be manipulated using a control
valve. The mass fraction of A in the exit stream is denoted by
x and the desired value by xsp.

X1, w1

X2, w2

X, w

Control Question:
Suppose that inlet concentration x1 varies with time. How can we
ensure that the outlet composition x remains at or near its desired
value.

Method 1.

Measure x and adjust w2.

if x is high, w2 should be reduced
if x is low, w2 should be increased

X2, w2
X1, w1
X, w

AT
(Analyzer-Transmitter)

(Feedback Control)

Method 2

Measure x1 and adjust w2.

AT
X2, w2
X1, w1
X, w

(Feed forward Control)

Design Question:
If the nominal value of x1 is x1,s what nominal flow rate w2
is required to produce the desired outlet concentration xsp.
With a steady state material balance,
w1+ w2 w = 0

( overall balance)

w1x1,s + w2x2,s wxsp = 0

(component A balance)

w1x1,s+w2(1.0)-(w1+w2)xsp=0

w2 = w1

xsp x1, s
1 xsp

X1, w1

X2, w2

Consider a more general version of

the blending system where stream
2 is not pure and volume of the
tank may vary with time.

X, w

(! Not an overflow system any more

but a draining system)

Objective is again to keep x at the desired value

A unsteady state mass balance gives;

rate of accumulation of
mass in the tank

rate of

rate of

mass in

mass out

The mass of liquid in the tank can be expressed as

product of the liquid and the density.

system: liquid in the tank

assumptions:

1.
2.

tank is well mixed

density of liquid is not changing with composition change

Total material balance;

{rate of mass in} - {rate of mass out} = {rate of accumulation of mass}

The rate expression in real form is,

w1t + w2 t wt = V t + t V t
Dividing by t and taking limit as t 0 gives

d
w1 + w2 w = (V )
dt

Component balance;

d
w1 x1 + w2 x2 wx = (Vx)
dt
Considering the constant density assumption
equations become;

w1 + w2 w =

dV
dt

d (Vx)
dx
dV
= V
+ x
w1 x1 + w2 x2 wx =
dt
dt
dt

Equation 1

Equation 2

Replacing Equation (1) into Equation (2) gives;

dx w1 ( x1 x) w2 ( x2 x)
=
+
dt
V
V
dV 1
= ( w1 + w2 w)
dt

With these two equations system behavior is

mathematically defined.

Degrees of Freedom Analysis:

Parameter(s):
variables: V, x1, w1, x2, w2, x, w
equations: (dV/dt and dx/dt)
D.O.F = 7-2 = 5
outputs: V, x
inputs: x1, w1, x2, w2, w
disturbances: x1, w1, x2
manipulated variables: w2, w
control structures)

(x

vs

w2 and V

vs

w as the

Example 2
Goal: The dynamic response of
temperature of the liquid in the tank is to
be determined.

Fi, Ti

System: The liquid in the tank.

Assumptions:
1. tank is well mixed
F, T

2. Physical properties of the system are

not changing during the process.

Total mass balance:

Fi t Ft = Aht + t Aht
d
Fi F = ( Ah)
dt
dh
A
= Fi F
dt
with constant and cross-sectional area A
flow rates are given in units of volumetric flow rates

Total energy balance:

Fi c p (Ti Tref )t Fc p (T Tref )t + Qt

= Ahc p (T Tref ) t + t Ahc p (T Tref ) t
d
Fi c p (Ti Tref ) Fc p (T Tref ) + Q = Ahc p (T Tref )
dt
with constant , Cp and assuming Tref =0 gives

Q
d ( hT )
dT
dh
=A
= Ah
+ AT
FiTi FT +
c p
dt
dt
dt
dh
= Fi F
A
dt
dT
Q
= Fi (Ti T ) +
Ah
c p
dt

D.O.F Analysis
Parameter(s): ,cp
variables: V, T
equations: (dh/dt and dT/dt)
D.O.F = 2-2 = 0
outputs: V, T
inputs: Fi, Ti, Fst
disturbances: Fi, Ti,
manipulated variables: no control structures

Example 3
Consider the typical liquid storage process
qi

shown in the figure, where qi and q are

volumetric flow rates.
Assuming

constant density and cross

sectional area A a mass balance gives:

q

dh
A
= qi q
dt

There are three important variations in the liquid

storage processes:
1.

The inlet or outlet flow rates might be constant. In that

case the exit flow rate is independent of the liquid level
over a wide range of conditions. Consequently qin=qout at
the steady state conditions.

2.

The tank exit line may function simply as a resistance to

flow from the tank or it may contain a valve that provides
significant resistance to flow at a single point. In the
simplest case, the flow may be assumed to be linearly
related to the driving force, the liquid level.

1
q=
h
Rv
1
dh
= qi
A
h
dt
Rv

3.

A more realistic expression for flow rate q can be

obtained when a fixed valve has been placed in the exit
line and turbulent flow can be assumed. The driving
force for flow through the valve is the pressure drop P,
P=P-Pa where P is pressure at the bottom of the tank
and Pa is pressure at the end of the exit line.

F = Cv *
Cv* is the valve constant

P Pa

Example 4
Fi, Ti, CAi

F, T, CA

Consider the Continuous Stirred Tank

Reactor (CSTR) in which a simple
liquid phase irreversible chemical
reaction takes place.

r=kCA
r : rate of reaction
k : reaction rate constant,
k=k0exp(-E/RT)
Cooling
medium

CA : molar concentration

system: liquid in the tank

Assumptions;

1.

CSTR is perfectly mixed

2.

Mass densities of feed and product are equal and

constant

3.

Liquid volume is kept constant by an overflow line.

4.

The thermal capacitances of the coolant and the cooling

coil wall are negligible compared to the thermal
capacitance of the liquid.

5.

Coolant temperature is constant. (change in the tank is

negligible)

6.

Rate of heat transfer to coolant is given by, Q=UA(Tc-T),

where U,A are parameters.

7.

Heat of mixing is negligible compared to the heat of

reaction.

8.

Shaft work and heat losses are negligible.

Total mass balance;

d
Fi F = ( V )
dt
With constant and V, Fi=F
Component balance for species A (in molar units);

dC A
FC Ai FC A VkC A = V
dt

Energy balance;

dT
wC p (Ti T ) + (H R )VkC A + UA(Tc T ) = VC p
dt