Process Dynamics and

Control
Hare Krishna Mohanta
BITS Pilani Department of Chemical Engineering
B.I.T.S-Pilani, Pilani Campus
Pilani Campus
 CHAPTER 2
BITS Pilani CHE F342: PROCESS DYNAMICS AND CONTROL
Pilani Campus
Ch 2: Theoretical Models of Chemical Processes

• Types of Models – their advantages and limitations

• Theoretical Modeling Principles
• Degrees of Freedom Analysis (DoFA)
• Examples – Blending process, Stirred-Tank Heater, CSTR (with and without
constant hold-up), Double Pipe Heat Exchanger, etc.
• Liquid Storage Systems
• Solving Differential Equations using MATLAB

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Unsteady State Models (Dynamic Models)

• Uses of Models
1. To understand the process
2. To train the plant operators
3. To develop the control system for the process
4. To optimize the plant operating conditions
Models
• Types of Models
Theoretical Models Empirical Models Semi-empirical
(Using the principles (Fitting the Models (Combination
of physics, chemistry experimental input of theoretical and
and biology) and output data) empirical models)

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Theoretical Models

• Advantages
1. Applicable over a wide range of process conditions
2. Provide physical insight into the behavior of the process

• Limitations
1. Time consuming to develop and expensive
2. Models for complex process typically include some model parameters
that are not readily available
e.g.-reaction rate constant, heat transfer coefficient, physical properties

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Empirical Models

• Advantages
– Easier to develop than theoretical models
• Limitations
– They don’t extrapolate well constrained to an operating
condition

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Semi-Empirical Models

• Advantages
• Incorporate theoretical knowledge
• They can extrapolate over a wide range of
operating conditions, than empirical models
• Require less development effort than theoretical
models, so mostly used in industries

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Theoretical Modeling

Based on certain principles called as conservation laws

Overall Mass Balance

𝜌 =density of the stream V=total volume of the system

i,j= indicate the ith, jth streams F=Volumetric flow rate

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Component Balance

Mass Balance on a Component A

rA :For reactant, Negative sign; for Product, Positive Sign

i,j= indicate the ith, jth streams (input and output streams, respectively)
nA=Number of moles A
V = Volume of the matter in the container
rA=reaction rate per unit volume for component A in the system
CAi= Concentration of component A in the stream i
Fi = Volumetric flow rate of steam i

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Energy Balance

Q =Amount of heat exchanged between the system and surroundings

per unit time
U, K, P= internal, kinetic and potential energies of the system and
surroundings per unit time
w=mass flow rate
Ws=shaft work per unit time
Ĥ = Specific enthalpy, enthalpy per unit mass

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Special Case of Energy Balance
Equation
For chemical processes:
• ∆P,∆K can be neglected because they are very small compared to U
• Shaft work, Ws can be neglected for most of the chemical processes
Therefore Energy Balance Eq can be written as:

For liquids (Incompressible fluids): H= U+PV

∵ PV is negligible⇒PV=0; ⟹ H≅U

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Examples

Blending Process

Assumptions
• Mixing must be uniform, to prevent composition changes within and outside.
x is not a function of space

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Degree of Freedom Analysis

• Degree of freedom is defined as the number of independent variables that

must be specified to define the process completely
or, the number of ways a process may deviate or change.
NF = NV – NE

Where NV= Number of variables

NE=Number of Equations
NF= Number of degrees of freedom
• Number of controllers cannot exceed the number of degrees of freedom

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Cases

• Case 1: NF=0 i.e. NV=NE

Process is exactly specified and set of equations has a solution
• Case 2: NF>0 i.e. NV>NE
Process is under specified
⇒ NE equations has an infinite number of solutions because NF
processes can be specified arbitrarily
• Case 3: NF<0 i.e. NV<NE
Process is over specified
⇒ Set of equations has no solutions. We have to remove NF to have
solution for the system

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Steps for Degrees of Freedom Analysis
(DoFA)
1. List of all quantities in the model that are known constants (or parameters that can be specified) on
the basis of equipment dimensions, known physical properties and so on.
2. Determine number of equations(NE) and number of variables (Nv)
3. Calculate the number of degrees of freedom: NF=NV-NE
4. Identify NE number of output variables that will be obtained by solving the process model
5. Identify NF number of input variables that must be specified as DV’s of MV’s, in order to utilize NF
degrees of freedom.
6. Identify ND disturbance variables which are generally determined by upstream conditions
7. Calculate the control degrees of freedom (NFC) as:
NFC= NF-ND=NMV=NCV
8. Identify the MVs and make CV-MV pairing for the system from the process knowledge.
9. Define the control objectives (Nco) and calculate the net degrees of freedom.
NFN = NFC - NCO
If NFN = 0, the system is completely specified.
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DoFA (Examples)

• Blending process (Variable holdup)

Step 1: Parameters: 𝜌
Step 2:-Variables: V,w1 ,w2 ,w ,x ,x1 ,x2
NV=7, NE=2
Step 3: NF=7-2=5
Step 4: NE output variables :V, x
Step 5: NF input variables: w1 ,w2 ,w,x1 ,x2
Step 6:- w1 ,x1 ,x2 are determined by upstream conditions (w2 can be
Disturbance variable(DV) but kept as manipulating variable(MV) ND=3
Step 7:-NFC=NF-ND=5-3=2 ND disturbances: w1 ,x1 ,x2
Step 8: CV-MV Pairing N MVs:- w ,w
FC 2

NFC CVs:- V ,x
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DoFA (Blending Process) (Contd.)

Step 9: Control objectives:

w1,x1 w2, x2=1

1. To keep V at a desired value, Vsp

LT
2. To keep x at its desired value, xsp. AC

NC = 2 LC
-
+
xsp
V
NFN = NFC – NCO = 2-2 = 0 AT

So, the system is completely specified. w, x

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Stirred-tank heating system (Constant
holdup)
Assumptions:
• Perfect Mixing
• Properties ,C are constant with temperature
• Heat losses are negligible
• Constant holdup (V= constant)

Energy Balance:

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CSTR (Constant Holdup)

Assumptions:
• Perfect Mixing
• Tc can be directly manipulated
• Cooling medium is at constant temperature Tc
• Properties  ,Cp are constant with temperature
• Heat losses are negligible
• Heat of mixing is negligible compared to heat of reaction
• Heat transfer coefficient is constant

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Modeling of CSTR

No. of moles of A reacted per unit time = rAV (rA = moles of A/Vol. time)
Heat of reaction per unit mole of A reacted=∆HR (-Ve)
Heat generated per unit time=(-∆HR) rAV
Overall Material Balance:
qi  = q or , qi = q
Component Balance:
Energy Balance:

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DOFA

• Parameters:
• Variables:

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CSTR (variable hold up)

Assumptions: (same as constant holdup)

Model:

Parameters: 𝜌,C, V, k0,E,R,U,A,∆HR

Variables: qi, Ti, T, CAi, CA, Tc,, V, q
DOFA:

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Double pipe heat exchanger

It is a distributed parameter system

Assumptions:
1. No axial variation in wall temperature (i.e. wall conduction is negligible to prevent the
formation of other equation)
2. Resistance to heat transfer within metal wall is neglected
3. Thermal capacity of the wall is neglected
4. Radial variation of liquid temperature is neglected
5. Properties 𝜌, CP are constants

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Modeling of double pipe heat exchanger

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Energy balance for the fluid and metal

After Simplification: Similarly, energy balance in metal wall:

where
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Liquid Storage System
qi Case1: When q is constant, say q =

h q
Case2: When the valve has linear resistance q = h/R

• Mass balance

Case3: When the valve has nonlinear resistance (with turbulent flow)

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Solving Differential Eq with MATLAB

• Symbolic Differential Equation Terms y y

dy Dy
dt
2
d y
2 D2y
dt
n
d y
n Dny
dt
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Solving a 1st Order DE
 The Matlab command used to solve differential equations is dsolve .

 Consider the differential equation:

dy
 2 y  12 » syms y t
dt
» ys=dsolve('Dy+2*y=12')
 The general solution is given by:
ys =6+exp(-2*t)*C1

 Verify the solution using dsolve command

 C1 is a constant which is specified by way of the

initial condition
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Verify Results

• Verify results given y(0) = 9

y (0)  9  C1  3

» ys=dsolve('Dy+2*y=12','y(0)=9')

ys =
6+3*exp(-2*t)

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Solving a 2nd Order DE
• Find the general solution of:
2
d y 2
2
c y 0
dt
» syms c y
» ys=dsolve('D2y = - c^2*y')

ys = C1*sin(c*t)+C2*cos (c*t)

y (t )  C1 sin( ct )  C2 cos( ct )
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Solving Simultaneous
Differential Equations
Given the equations: dx dy

 3x  4 y  4 x  3 y
dt dt
General
x(t )  c1e3t cos(4t )  c2e3t sin( 4t )

solution is:
y(t )  c1e sin( 4t )  c2e cos(4t )
3t 3t

» syms x y t
» [x,y]=dsolve('Dx=3*x+4*y','Dy=-4*x+3*y')
x = exp(3*t)*(cos(4*t)*C1+sin(4*t)*C2)
y = -exp(3*t)*(sin(4*t)*C1-cos(4*t)*C2)

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Initial Conditions
 Solve the previous system with the initial conditions:

x(0)  0 y (0)  1

» [x,y]=dsolve('Dx=3*x+4*y','Dy=-4*x+3*y',
'y(0)=1','x(0)=0')

x = exp(3*t)*sin(4*t) x  e sin( 4t )
3t

y = exp(3*t)*cos(4*t) y  e3t cos(4t )

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Solving DE with MATLAB
2
d y dy
2
 3  2 y  24
dt dt
y(0)  10 y '(0)  0

>> syms y t
>> y = dsolve ('D2y + 3*Dy + 2*y = 24',
'y(0)=10', 'Dy(0)=0')
y = 12+2*exp(-2*t)-4*exp(-t)
>> ezplot(y, [0 6])
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