Part One Che621 Adv PDC

CHE 621
Advanced Process Dynamics and Control

1
1. Quick Overview of Chemical Process Control
2. Mathematical Modeling of Chemical Processes
Dr. Waheed Afzal
Associate Professor of Chemical Engineering
Institute of Chemical Engineering and Technology
University of the Punjab, Lahore
wa.icet@pu.edu.pk
Course
Quick Revision of PDC
Mathematical Modeling of Chemical Processes
Linearization of Non-Linear Models
Development of Transfer Functions and Input-Output Models
Dynamic Behavior of First, Second (and Higher) Order Systems
Analysis and design of feedback-controlled processes
Analysis and design of advanced control systems
Plant-wide process control
Computer applications in PDC
2
3
Donald R. Coughanowr and Steven E. LeBlanc. Process Systems
Analysis and Control. McGraw-Hill, 2008
Dale E. Seborg, Thomas F. Edgar, and Duncan A. Mellichamp. Process
Dynamics and Control. 2nd Edition, Wiley, 2004.
Carlos A. Smith, and Armando Corripio. Principles and Practice of
Automatic Process Control. 3rd ed. John Wiley & Sons, Inc., 2006.
William L Luyben. Process Modeling, Simulation and Control for
Chemical Engineers. 2nd Edition, McGraw-Hill, 1996
George Stephanopoulos. Chemical process control. Englewood Cliffs,
New Jersey: Prentice-Hall, 1984

Recommended Books
Take-Home Assignment
Assignment # 1 (Compulsory)
Mathematical Modeling
Part I. Solve all of the problems at the end of Chapters 4
and 5 of Stephanopoulos (1984).
Part II. Solve all of the problems at the end of Chapter 3
of Luyben (1996).
4
Fun Assignment
Introduction to Chemical Process Control
Part I. Prepare short answers to things to think about
(Stephanopoulos, 1984) pages 33-35 and 78-79.
Part II. Solve the problems for Part I (page 36-41) PI.1 to 1.10 of
Stephanopoulos (1984)
Test yourself (and Define):
Dynamics (of openloop
and closedloop) systems
Manipulated Variables
Controlled/ Uncontrolled
Variables
Load/Disturbances
Feedback, Feedforward
and Inferential controls
Error
Offset (steady-state
value of error)
Set-point

5
Stability
Block diagram
Transducer
Final control element
Mathematical model
Input-out model,
transfer function
Deterministic and
stochastic models
Optimization
Types of Feedback
Controllers (P, PI, PID)
Need of a Control
Safety:
Equipment and Personnel
Production Specifications:
Quality and Quantity
Environmental Regulations:
Effluents
Operational Constraints:
Distillation columns (flooding, weeping); Tanks
(overflow, drying), Catalytic reactor (maximum
temperature, pressure)
Economics:
Minimum operating cost, maximum profits

6
Requirements from a control
7
Suppressing External Disturbances
Ensure the Stability of a Process
Optimization of the Performance
of a Process
Control system is an agent of
management of process variability in
which the impact of disturbance is
shifted to a benign location in a
process or plant.
Process Control in a Chemical Plant
Identify Sources of Disturbances
8
Luyben (1996)
Controlling T in a Stirred Tank Heater
9
measure T
compare measured T
with T
s

Compute error:
e = T
s
- T

e > 0; T
s
> T (increase F
st
)
e < 0; T
s
< T (reduce F
st
)
Feedback Control in a Stirred Tank Heater
(Stephanopoulos, 1984)
10
Classification of Variables
Input variables (sometime called as load variables or LV)
Further classified as disturbances and manipulated or control
variables)
Output variables
Further classified into measured and unmeasured variables
Often, manipulated variable effects (measured) output
variable; controlled variable is a measured variable
When an output variable is chosen as a manipulated variable,
it becomes an input variable.
A manipulated variable is always an input variable.
11
Design Elements in a Control
Objective: h = h
s
(Controlled Variable or CV)

Scenario Contrd.
Variable
Manip.
Variable
Input
Variable
Output
Variable
1 (shown) h F F
i
h
2 h F
i
F, h
Define Control Objective: what are the operational objectives of a control
system
Select Measurements: what variables must be measured to monitor the
performance of a chemical plant
Select Manipulated Variables: what are the manipulated variables to be used
to control a chemical process
Select the Control Configuration: information structure for measured and
controlled variables. Configurations include feedback control, inferential
control, feedforward control
F
h
A
12
Input variables
F
i
, F
st
, T
i
, (F)
Output variables
F, T, h
Control Objective
(a) T = T
s
(b) h = h
s

F, T
F
st
h A

F, T
h A

F
st
Temperature and level control in a stirred
tank heater (Stephanopoulos, 1984)
Design Elements in a Control
13
Control Configurations in a Distillation Column
Define Control Objective:
95 % top product
Select Measurements:
composition of Distillate
Select Manipulated variables:
Reflux ratio
Select the Control Configuration:
feedback control
14
Feed-forward Control Configuration in a Distillation
Column
Control x
D
15
Inferential Control in a Distillation Column
Control Objective: x
D
Unmeasured input =
f (secondary measurements)

The process (chemical or physical)
Measuring instruments and sensors (inputs, outputs)
what are the sensors for measuring T, P, F, h, x, etc?
Transducers (converts measurements to current/ voltage)
Transmission lines/ amplifier
The controller (intelligence)
The final control element
Recording/ display
elements

Recall Process
Instrumentation

16
Hardware for a Process Control System
Mathematical representation of a process (chemical
or physical) intended to promote qualitative and
quantitative understanding
Set of equations
Steady state, unsteady state (transient) behavior

Model should be in good agreement with
experiments
17
Mathematical Modeling
Experimental Setup
Set of Equations
(process model)
Inputs Outputs
Outputs
Compare
1. Determine objectives, end-use, required details and
accuracy
2. Draw schematic diagram and label all variables, parameters
3. Develop basis and list all assumptions; simplicity Vs reality
4. If spatial variables are important (partial or ordinary DEs)
5. Write conservation equations, introduce auxiliary equations
6. Never forget dimensional analysis while developing
equations
7. Perform degree of freedom analysis to ensure solution
8. Simplify model by re-arranging equations
9. Classify variables (disturbances, controlled and manipulated
variables, etc.)
18
Systematic Approach for Modelling
(Seborg et al 2004)
To understand the transient behavior, how inputs
influence outputs, effects of recycles, bottlenecks
To train the operating personnel (what will happen
if, emergency situations, no/smaller than
required reflux in distillation column, pump is not
providing feed, etc.)
Selection of control pairs (controlled v. /
manipulated v.) and control configurations
(process-based models)
To troubleshoot
Optimizing process conditions (most profitable
scenarios)
19
Need of a Mathematical Model
Theoretical Models
based on principal of conservation- mass, energy,
momentum and auxiliary relationships, , enthalpy,
c
p
, phase equilibria, Arrhenius equation, etc)
Empirical model
based on large quantity of experimental data)
Semi-empirical model (combination of theoretical
and empirical models)
Any available combination of theoretical principles
and empirical correlations

20
Classification of Process Models
based on how they are developed
Theoretical Models
Physical insight into the process
Applicable over a wide range of conditions
Time consuming (actual models consist of large
number of equations)
Availability of model parameters e.g. reaction rate
coefficient, over-all heart transfer coefficient, etc.
Empirical model
Easier to develop but needs experimental data
Applicable to narrow range of conditions
21
Advantages of Different Models
State variables describe natural state of a process
Fundamental quantities (mass, energy, momentum)
are readily measurable in a process are described by
measurable variables (T, P, x, F, V)
State equations are derived from conservation
principle (relates state variables with other variables)

(Rate of accumulation) = (rate of input) (rate of
output) + (rate of generation) - (rate of consumption)
22
State Variables and State Equations
Basis
Flow rates are volumetric
Compositions are molar
A B, exothermic, first order
Assumptions
Perfect mixing
, c
P
are constant
Perfect insulation
Coolant is perfectly mixed
No thermal resistance of jacket
23
Modeling Examples
Jacketed CSTR
Coolant
F
i
, C
Ai
, T
i
F, C
A
, T

Overall Mass Balance
(Rate of accumulation) = (rate of input)
(rate of output)
Component Mass Balance
(Rate of accumulation of A) = (rate of
input of A) (rate of output of A) + (rate
of generation of A) (rate of
consumption of A)
24
Modeling of a Jacketed CSTR (Contd.)
Coolant
Fc
i
,Tc
i
V
C
A

T
F
i
, C
Ai
, T
i
F, C
A
, T

Coolant
Fc
o
,Tc
o
Energy Balance
(Rate of energy accumulation) = (rate of energy input) (rate of
energy output) - (rate of energy removal by coolant) + (rate of
energy added by the exothermic reaction)

/

Energy Balance
( )

25
Modeling of a Jacketed CSTR (Contd.)
Coolant
Fc
i
,Tc
i
V
C
A

T
F
i
, C
Ai
, T
i
F, C
A
, T

Coolant
Fc
o
,Tc
o
Input variables: C
Ai
, F
i
, T
i
, Q, (F)
Output variables: V, C
A
, T
N
f
= N
v
- N
E
Case (1): N
f
= 0 i.e. N
v
= N
E
(exactly specified system)
We can solve the model without difficulty
Case (2): f > 0 i.e. N
v
> N
E
(under specified system), infinite
number of solutions because N
f
process variables can be fixed
arbitrarily. either specify variables (by measuring disturbances)
or add controller equation/s
Case (3): N
f
< 0 i.e. N
v
< N
E
(over specified system) set of
equations has no solution
remove N
f
equation/s
We must achieve N
f
= 0 in order to simulate (solve) the model
26
Degrees of Freedom (N
f
) Analysis
Basis/ Assumptions
Perfectly mixed, Perfectly insulated
, c
P
are constant
27
Stirred Tank Heater: Modeling and
Degree of Freedom Analysis
Steam
Fst
A
=
Energy Balance

Independent Equations: 2 Variables: 6 (h, F
i
, F, T
i
, T, Q)
N
f
= 6-2 (= 4) Underspecified
N
f
= 4
Specify load variables (or disturbance)
Measure F
i
, T
i
(N
f
= 4 - 2 = 2)
Include controller equations (not
studied yet); specify CV-MV pairs:

28
Stirred Tank Heater: Modeling and
Steam
Fst
A

CV MV
h F
T Q
= +

N
f
= 2 - 2 = 0
Can you draw these control loops?
F

Z
m
B
m
D
V
B
D
x
D
B
x
B
R x
D
Reboiler
Condenser
Reflux Drum
29
Basis/ Assumptions
1. Saturated feed
2. Perfect insulation of column
3. Trays are ideal
4. Vapor hold-up is negligible
5. Molar heats of vaporization of A
and B are similar
6. Perfect mixing on each tray
7. Relative volatility () is constant
8. Liquid holdup follows Francis weir
formulae
9. Condenser and Reboiler dynamics
are neglected
10. Total 20 trays, feed at 10
2, 4, 5 V
1
= V
2
= V
3
= V
N
(not valid for high-pressure columns)
Modeling an Ideal Binary Distillation Column
= 20
Reflux Drum
Overall
(
=
20

Component
= (
20
/
)(
20

)

30
V
20
D

x
D
R

x
D
Reflux Drum
N = 20
V
20
R

V
19
L
20
Top Tray
Top Tray
Overall
(
20
)
= +
19

20

20

Component
20
=
1
20

20
+
(
19

20
)
Remember V
1
= V
2
= . V
N
= V
B
m
D
Modeling Distillation Column
31
N
th
Stage
m
N
v
N
L
N+1
L
N v
N-1
N
th
Stage (stages 19 to 11 and 9 to 2)
Overall
(
=
+1
+
1

Component
(
=
+1
+1
+
1

. simplify!

Feed Stage
(10
th
)
m
N
v
10
L
11
L
10 v
9
F
Z
Feed Stage (10
th
)
Overall
(
10
)
=
11
+ +
9

10

10

Component
(
10
10
)
=
11
11
+ +
9
9

10
10

10
10

. simplify!

32
V
B
L
1
V
1
L
2
1
st
Stage
1
st
Stage
Overall
(
1
)
=
2
+

1

1

Component
(
1
1
)
=
2
2
+
1

1
1

simplify!

V
B
L
1
Column
Base
m
B
B

Column Base
Overall
(
=
1

Component
(
=
1

. simplify!
V
B
33
Equilibrium relationships (to determine y)
Mass balance (total and component) around 6 segments of a
distillation column: reflux drum, top tray, N
th
tray, feed tray, 1
st

tray and column base.
Solution of ODE for total mass balance gives liquid holdups (m
N
)
Solution of ODE for component mass balance gives liquid
compositions (x
N
)
V
1
= V
2
= = V
N
= V
B
(vapor holdups)
How to calculate y (vapor composition) and L (liquid flow rate)
Recall
ij
is constant throughout the column
Use
ij
= k
i
/k
j
, x
i
+ x
j
=1, y
i
+ y
j
= 1, and k = y/x to prove
+(
)
Phase-equilibrium relationship (recall

thermodynamics)
34
Liquid flow rate can be calculated using well-known Francis
weir hydraulic relationship; simple form of this equation is
linearized version:

=
0
+

L
N
is flow rate of liquid coming from N
th
stage
L
N0
is reference value of flow rate L
N

m
N
is liquid holdup at N
th
stage
m
N0
is reference value of liquid holdup m
N

is hydraulic time constant (typically 3 to 6 seconds)
Hydraulic relationships (to determine L)
35
Total number of independent equations:
Equilibrium relationships (y
1
, y
2
, y
N
, y
B
) N+1 (21)
Hydraulic relationships (L
1
, L
2
, L
N
) N (20)
(does not work for liquid flow rates D and B)
Total mass balances (1 for each tray, reflux drum and
column base) N+2 (22)
Total component mass balances (1 for each tray, reflux
drum and column base) N+2 (22)
Total Number of equations N
E
= 4N + 5 (85)
44 differential and 41 algebraic equations
Note the size of model even for a simple system with several
simplifying assumptions!
36
Total number of independent variables:
Liquid composition (x
1
, x
2
, x
N
, x
D
,

x
B
) N+2
Liquid holdup (m
1
, m
2
, m
N
, m
D
,

m
B
) N+2
Vapor composition (y
1
, y
2
, y
N
, y
B
) N+1
Liquid flow rates (L
1
, L
2
, L
N
) N
Additional variables 6
(Feed: F, Z; Reflux: D, R; Bottom: B, V
B
)
Total Number of independent variables N
V
= 4N + 11

Degree of Freedom = (4N + 11) (4N + 5)
= 6
System is underspecified

37
(4N + 11) (4N + 5) = 6
Specify disturbances: F, Z (N
f
= 6-2 = 4)
Include controller equations (Recall our discussion on types
of feedback controllers )
General form, of P-Controller c(t) = c
s
+ K
c
(t)
Controlled
Variable
Manipulated
Variable
x
D
R
x
B
V
B
m
D
D
m
B
B
R = K
c
(x
s
- x
D
) + R
s
V
B
= K
c
(x
Bs
-x
B
) + V
Bs
D = K
c
(m
Ds
-m
D
) + D
s
B = K
c
(m
Bs
-m
B
) + B
s

N
f
= 4 - 4 = 0
Controller Equation
(Proportional Controller)
Can you draw these four feedback control loops on the process?
38
Feedback Control on a Binary Distillation Column
CV MV loop
x
D
R 1
x
B
V
B
2
m
D
D 3
m
B
B 4
R
39
Modeling CSTRs in Series
constant holdup, isothermal
F
0
F
1
C
A1
F
2
C
A2
F
3
C
A3
V
1
K
1
T
1
V
2
K
2
T
2
V
3
K
3
T
3
Basis and Assumptions
A B (first order reaction)
Compositions are molar and flow rates are volumetric
Constant V, , T
=
0
1
= 0 i.e. at constant V, F
3
=F
2
=F
1
=F
0
F
So overall mass balance is not required!
Luyben (1996)
40
Component A mass balance on each tank (A is chosen arbitrarily)
1

0

1

1
2

1
2

2
3

2
3

3
3

k
n
depends upon temperature k
n
= k
0
e
-E/RTn
where n = 1, 2, 3
Apply degree of freedom analysis!
Parameters/ Constants (to be known): V
1
, V
2
, V
3
, k
1
, k
2
, k
3
Specified variables (or forcing functions): F and C
A0
(known but not
constant) . Unknown variables are 3 (C
A1
, C
A2
, C
A3
) for 3 ODEs
Simplify the above ODEs for constant V, T and putting = V/F
41
If throughput F, temperature T and holdup V are same in
all tanks, then for = V/F (note its dimension is time)
+
1
+
1
=
1
+
2
+
1
=
1
+
3
+
1
=
1

2

In this way, only forcing function (variable to be specified)
is C
A0
.
42
Variable Holdups, n
th
order
Mass Balances (Reactor 1)
=
0
1

(
1
1
)
=
0
1

1
1
(
1
)
n

=
1
2

(
2
2
)
=
1
2

2
2
(
2
)
n

=
2
3

(
3
3
)
=
2
3

3
3
(
3
)
n

Changes from previous case:
V of reactors (and F) varies
with time,
reaction is n
th
order
Parameters to be known:
k
1
, k
2
, k
3
, n
Disturbances to be specified:
C
A0
, F
0

Unknown variables:
C
A1
, C
A2
, C
A3
, V
1
, V
2
, V
3
, F
1
, F
2
, F
3

CV MV
Include
Controller eqns
V
1
(or h
1
) F
1
F
1
= f(V
1
)
V
2
(or h
2
) F
2
F
2
= f(V
2
)
V
3
(or h
3
) F
3
F
3
= f(V
3
)
H
1
H
2
H
3
Q
in or out
43
Modeling a Mixing Process
()
=
1
1
+
2
2

3
()
= (
1
+
2
)
3

( )
= (
1
1
+
2
2
)
3
3
c
A
is concentration of A in CSTR; hence c
A
= c
A3
Basis and Assumptions
F (volumetric), C
A
(molar); Well Stirred
Feed (1, 2) consists of components A and B
Enthalpy of mixing is significant
Process includes heating/ cooling
Stephanopoulos (1984)
H
1
H
2
H
3
44
Conservation of energy
(recall first law of thermodynamics)
= + + +

(for constant / liquid system, is zero)
Energy Balance
enthalpy balance (h is energy/mass)
(
= (
1
+
2
)
3

We were familiar with energy
; how to characterize h
(specific enthalpy) into familiar quantities (T, C
A
, parameters, )
H is enthalpy, h is specific enthalpy; C
P
is heat capacity, c
P
is specific
heat capacity .
45
Since enthalpy depends upon temperature
so lets replace h with h(T)
1

1
=

0
+
1

1
2

2
=
(
0
) +
2

2
3

3
=
(
0
) +
3

3
0

enthalpy associated with T was easy to obtain, how to obtain h(T
0
)

0
=
1
+
1
+
1
(
0
)

0
=
2
+
2
+
2
(
0
)

0
=
3
+
3
+
3
(
0
)
and
are molar enthalpy of component A and B and
is heat of
solution for stream i at T
0
.
(
= (
1
+
2
)
3

Put values of h in overall energy balance
46
Re-arranging (and using component mass balance equations)
=
1
3
+
2
3
+
1

1

1
0

3

3
0
+
2
[
2

2
0

3

3
0
]

If we assume c
P1
= c
P2
= c
P3
= c
P

=
1
3
+
2
3
+
1
(
1
3
) + c
p
2
(
2
3
)

If heats of solutions are strong functions of concentrations
then
3
and
3
are significant
Mixing process is generally kept isothermal (how?)

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CHE 621

Advanced Process Dynamics and Control

Phase-equilibrium relationship (recall

are molar enthalpy of component A and B and

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