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.

1
 Chapter 2

Lecture 2
 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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Review Lecture 1
Reactor Mole Balances Summary
The GMBE applied to the four major reactor types
(and the general reaction AB)
Reactor Differential Algebraic Integral
NA
NA
dN A
Batch dN A
 rAV t  rAV
dt N A0
t
CSTR FA 0  FA
V
rA FA
FA
dFA dFA
PFR
dV
 rA V 
FA 0
drA
V

FA FA
dFA 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
min
C A0
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
kCA

(5) Evaluate:
C A  0.1C A0

10dm3
C A0  0.1C A0  101  0.1
V  min  3

0.23 min 1 0.1C A0  0.230.1 dm

900
V  391 dm3
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2.3
 Chapter 2

Define conversion, X
Consider the generic reaction:
a AbB  c C  d 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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 Chapter 2

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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 Chapter 2

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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 Chapter 2

CSTR
Consider the generic reaction:
a AbB  c C  d 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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 Chapter 2

CSTR

dN A
Steady State 0
dt

FA 0  FA

Well Mixed V
rA

 r dV  r V
A A

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 Chapter 2

CSTR
 Moles A  Moles A   Moles A
leaving   entering  reacted 
     
FA  FA0  FA0 X

FA0  FA   rAdV  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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
 Chapter 2

PFR
dFA
 rA
dV
FA  FA0  FA0 X

Steady State dFA  0  FA0 X

dX  rA

dV FA0
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 Chapter 2

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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 Chapter 2

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
 Chapter 2

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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 Chapter 2

Levenspiel Plots

FA 0
rA

 X

17 
 Chapter 2

CSTR

FA 0 Area = Volume of CSTR

rA  FA0 
V    X 1
  rA  X1
X1

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 Chapter 2

PFR

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 Chapter 2

Levenspiel Plots

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 Chapter 2

Numerical Evaluations of Integrals

 The integral to calculate the PFR volume can be
evaluated using method as Simpson’s One-Third
Rule: (See Appendix A.4)
X
FA0 x  1 4 1 
V  dX  FA0    
1
0
 rA 3 
 A r ( 0)  rA ( X / 2)  rA ( X ) 
 rA ( X 2 )
1
 rA
Other numerical methods are:
1
 Trapezoidal Rule (uses two
 rA ( X 1 )
data points)
1  Simpson’s Three-Eight’s
 rA (0) Rule (uses four data points)
0 X1 X2
 Five-Point Quadrature
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Formula
 Chapter 2

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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 Chapter 2

Reactors in Series

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 Chapter 2

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
 Chapter 2

Reactors in Series
Reactor 2:
X2
FA0
V2   dX
X1
 rA

FA 0 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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 Chapter 2

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

V

0

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 Chapter 2

KEEPING UP
 The tower of CRE, is it stable?

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 Algorithm

Reaction Engineering

Mole Balance Rate Laws Stoichiometry

These topics build upon one another.

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 Algorithm

Heat Effects
Isothermal Design
Stoichiometry
Rate Laws
Mole Balance

CRE Algorithm

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 Algorithm

Mole Balance Rate Laws

Be careful not to cut corners on any of the

CRE building blocks while learning this material!

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 Algorithm

Heat Effects
Isothermal Design

Stoichiometry
Rate Laws

Mole Balance

Otherwise, your Algorithm becomes unstable.

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 End of Lecture 2

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