Lecture 2

Chemical Reaction Engineering (CRE) is the

field that studies the rates and mechanisms of
chemical reactions and the design of the
reactors in which they take place.

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 Lecture 2 Tuesday
1/15/2013
Review of Lecture 1
Definition of Conversion, X
Develop the Design Equations in terms of X
Size CSTRs and PFRs given rA= f(X)
Conversion for Reactors in Series
Review the Fall of the Tower of CRE

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 Reactor
Review Mole Balances
Lecture 1
Summary
The GMBE applied to the four major reactor types
(and the general reaction AB)
Reactor Differential Algebraic Integral
NA NA
dN A
Batch dN A
rAV t
dt rV
N A0 A
t
CSTR FA 0 FA
V
rA FA
FA
dFA dFA
PFR
dV
rA V
FA 0
drA
V

FA
dFA FA
dFA
PBR
dW
rA W
FA 0
rA
3
W
Review Lecture 1
CSTR Example Problem
Given the following information, Find V
3
0 10 dm 3
min 0 10 dm
C A0 min
V ? C A 0.1C A0
FA0 0C A0
FA C A

Liquid phase
0
FA 0CA

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Review Lecture 1
CSTR Example Problem
(1) Mole Balance:
FA0 FA 0C A0 0C A 0 C A0 C A
V
rA rA rA

(2) Rate Law:

rA kCA

(3) Stoichiometry:
FA FA
CA
0
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 Review Lecture 1
CSTR Example Problem
(4) Combine:
0 CA 0 CA
V
kC A

(5) Evaluate:
C A 0.1C A0

10dm 3
C A0 0.1C A0 101 0.1
V min dm 3

0.23 min 1 0.1C A0 0.23 0.1

900
V 391 dm 3
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2.3
 Define conversion, X
Consider the generic reaction:
a AbB cCd D

Chose limiting reactant A as basis of calculation:

b c d
A B C D
a a a

Define conversion, X
moles A reacted
X
moles A fed
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 Batch

Moles A Moles A Moles A

remaining initially reacted

NA N A0 N A0 X
dN A 0 N A0 dX
dN A dX
N A0 rAV
dt dt

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 Batch
dN A rAV t 0 X 0

dt N A0 t t X X

Integrating,
X
dX
t N A0
0
rAV

The necessary t to achieve conversion X.

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 CSTR
Consider the generic reaction:
a AbB cCd D

Chose limiting reactant A as basis of calculation:

b c d
A B C D
a a a

Define conversion, X
moles A reacted
X
moles A fed
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 CSTR

Steady State dN A
0
dt

FA 0 FA
Well Mixed V
rA

r dV r V
A A

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 CSTR
Moles A Moles A Moles A
leaving entering reacted

FA FA0 FA0 X

FA0 FA rA dV 0
FA 0 FA 0 FA 0 X
V
rA
FA0 X
V
rA
CSTR volume necessary to achieve conversion X.

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 PFR
dFA
rA
dV
FA FA0 FA0 X

Steady State dFA 0 FA0 X

dX rA

dV FA0
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 PFR
V 0 X 0
V V X X

Integrating,
X
FA0
V dX
0
rA

PFR volume necessary to achieve conversion X.

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 Reactor Mole Balances
Summary
in terms of conversion, X
Reactor Differential Algebraic Integral

X
X
dX
Batch N A0
dX
r AV t N A0
dt 0
rAV
t
FA 0 X
CSTR V
rA
X
dX FA0 dX
PFR FA 0 rA V
dV 0
rA

X
X
dX FA0 dX
PBR
FA 0 rA W
15 dW 0
rA
W
 Levenspiel Plots
Reactor Sizing
Given rA as a function of conversion, -rA= f(X), one
can size any type of reactor. We do this by
constructing a Levenspiel plot. Here we plot either
(FA0/-rA) or (1/-rA) as a function of X. For (FA0/-rA) vs.
X, the volume of a CSTR and the volume of a PFR
can be represented as the shaded areas in the
Levenspiel Plots shown as:

FA0
g(X )
rA
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 Levenspiel Plots

FA 0
rA

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 CSTR

Area = Volume of CSTR

FA 0
rA FA0
V X1
rA X1
X1

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 PFR

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 Levenspiel Plots

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 Numerical Evaluations of Integrals
The integral to calculate the PFR volume can be
evaluated using method as Simpsons One-Third
Rule: (See Appendix A.4)
X
FA0 x 1 4 1
V dX FA0
1 r 3 r ( 0 ) r ( X / 2 ) r ( X )
0 A A A A
rA ( X 2 )
1
rA
Other numerical methods are:
1 Trapezoidal Rule (uses two
rA ( X 1 )
data points)
1 Simpsons Three-Eights
rA (0)
0 X1 X2 Rule (uses four data points)
Five-Point Quadrature

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Formula
 Reactors in Series
Given: rA as a function of conversion, one can also
design any sequence of reactors in series by defining
X:
total moles of A reacted up to point i
Xi
moles of A fed to first reactor

Only valid if there are no side streams.

Molar Flow rate of species A at point i:

FAi FA0 FA0 X i

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 Reactors in Series

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 Reactors in Series
Reactor 1:
FA1 FA0 FA0 X 1

FA0 FA1 FA0 FA0 FA0 X 1 FA0 X 1

V1
rA1 rA1 rA1

FA 0 V1
rA

24 X1 X
 Reactors in Series
Reactor 2:
X2
FA0
V2 dX
X1
rA

FA0 V2
rA

X1 X2
25 X
 Reactors in Series
Reactor 3:
FA 2 FA3 rA3V3 0
FA0 FA0 X 2 FA0 FA0 X 3 rA3V3 0
FA 0 X 3 X 2
V3
rA 3

V3
FA 0
rA

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X1 X X2 X3
 Reactors in Series

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 Reactors in Series
Space time is the time necessary to process 1
reactor volume of fluid at entrance conditions.

V

0

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 KEEPING UP
The tower of CRE, is it stable?

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 Reaction Engineering

Mole Balance Rate Laws Stoichiometry

These topics build upon one

another.

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 Heat Effects
Isothermal Design
Stoichiometry
Rate Laws
Mole Balance

CRE
Algorithm
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 Rate Laws
Mole Balance

Be careful not to cut corners on any

of the
CRE building blocks while learning
this material!
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 Heat Effects
Isothermal Design

Stoichiometry
Rate Laws

Mole Balance

Otherwise, your Algorithm

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becomes unstable.
 End of Lecture 2

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