CHE412 Process Dynamics and Control

BSc (Engg) Chemical Engineering (7th Semester)

Week 3 (contd.)
Mathematical Modeling (Contd.)
Luyben (1996) Chapter 3
Stephanopoulos (1984) Chapter 5
Dr Waheed Afzal
Associate Professor of Chemical Engineering
Institute of Chemical Engineering and Technology
University of the Punjab, Lahore
wa.icet@pu.edu.pk
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Modeling CSTRs in Series

constant holdup, isothermal

Basis
and Assumptions
A B (first order reaction)
Compositions are molar and flow rates are
volumetric
Constant V, , T
Overall Mass Balance

i.e. at constant V, F3 =F2 =F1 =F0 F

So overall mass balance is not required!
F
0

Luyben (1996)

V1
K1
T1

F1
CA1

V2
K2
T2

F2
CA2

V3
K3
T3

F3
CA3

Modeling CSTRs in Series

constant holdup, isothermal

Component
A mass balance on each tank

(A is

chosen arbitrarily)

kn depends upon temperature

kn = k0 e-E/RTn where
n = 1, 2, 3
Apply degree of freedom analysis!
Parameters/ Constants (to be known): V1, V2, V3, k1, k2,
k3
Specified variables (or forcing functions): F and CA0
(known but not constant) . Unknown variables are 3
(CA1, CA2, CA3) for 3 ODEs

Modeling CSTRs in Series

constant holdup, isothermal

F, temperature T and holdup V

If throughput

are same in all tanks, then for = V/F (note its

dimension is time)

In this way, only forcing function (variable to be

specified) is CA0.

Modeling CSTRs in Series

Variable Holdups, nth order

Mass
Balances (Reactor 1)
n

Mass Balances (Reactor 2)

n

Mass Balances (Reactor 1)

)n

Changes from previous

case:
V of reactors (and F)
varies with time,
reaction is nth order
Parameters to be
known:
k1, k2, k3, n
Disturbances to be
specified:
CA0, F0
Include
Controller
UnknownMvariables:
CV
eqns
CA1
, CA2, CV
A3, V1, V2, V3, F1,
(or
F1
F1 = f(V1)
FV21, F
3
h1)
V (or

F = f(V )

Modeling a Mixing Process

Basis and Assumptions

F (volumetric), CA (molar); Well Stephanopoulos (1984
Stirred
Feed (1, 2) consists of components A
and B
H
Enthalpy of mixing is significant
H
Process
includes heating/ cooling
Overall Mass Balance
Q
is constant
2

in or
out

Component Mass Balance

3

H3
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Modeling a Mixing Process

Conservation

of energy
(recall first law of thermodynamics)

H2

H1

(for constant / liquid systems is zero)

Energy Balance
enthalpy balance (h is energy/mass)

H3

We were familiar with energy ; how to characterize h

(specific enthalpy) into familiar quantities (T, CA,
parameters, )
H is enthalpy, h is specific enthalpy; CP is heat
capacity, cP is specific heat capacity .
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Modeling a Mixing Process

Since

enthalpy depends upon

temperature
so lets replace h with h(T)

enthalpy

associated with T was easy to obtain, how to obtain

h(T0)

and are molar enthalpy of component A and B and is heat of solution

for stream i at T0.
Put values of h in overall energy balance
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Modeling a Mixing Process

Re-arranging

(and using component mass balance

equations)

If

we assume cP1 = cP2 = cP3 = cP

cp

If heats of solutions are strong functions of

concentrations then and are significant
Mixing process is generally kept isothermal
(how?)

Tips For Assessment (Exam)

Introduction + Modeling (week 1-3)
In exam, you may be asked short descriptive
questions to check your understanding of process
control and to prepare a mathematical model for a
chemical process or processes and to make the
system exactly specified (i.e. Nf = 0)
1. Consult your class notes, board
proofs, discussions
2. Stephanopoulos (1984) chapters 1-5,
examples and end-chapter problems
3. Luyben (1996) chapter 3 page 40 to
74. Practice examples and endchapter problems for chapter 3.
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Week 3
Weekly Take-Home Assignment

1. Follow all the example modeling exercises

in Luyben (1996) chapter 3 page 40 to 74.
Practice these example processes.
2. Solve at least 10 end-chapter problems
from Luyben (1996) chapter 3
(Compulsory)

Submit before Friday (Feb 7)

Curriculum and handouts are posted
at:
http://faculty.waheed-

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