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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 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 
dt rV
N A0 A
t
CSTR FA 0  FA
V
rA FA
FA
dFA dFA
PFR
dV
 rA V F rA
A0
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 A Product
FA   0CA First order reaction with
k = 0.23 min-1
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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  kC A

(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  101  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
 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

Steady State dN A
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   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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
 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

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 Chapter 2

CSTR

Area = Volume of CSTR

FA 0
-rA  FA0 
V    X 1
  rA  X 1
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  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 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

Numerical Evaluations of Integrals

Simpson’s One-Third Rule: (See Appendix A.4)

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 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

FA0
Reactors in Series

FA0 = 50 kmol/h

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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

25 X1 X
 Chapter 2

Reactors in Series X2 0.6

FA0 FA0
Reactor 2: V2   dX   dX
X1
 rA 0.2
 rA

h
= 0.38 m3

(h = (0.6 – 0.2)/2)

FA0 V2
 rA

X1 X2
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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    50 ×(0.65 −0.60)
V3  ¿ =0.1 𝑚
3

rA 3 25

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 Reactor volume

0 Volumetric flowrate

This is the time it takes for the amount of fluid that

takes up the entire volume of the reactor to either
completely enter or completely exit the reactor.

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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

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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 Algorithm

Heat Effects
Isothermal Design

Stoichiometry
Rate Laws

Mole Balance

Otherwise, your Algorithm becomes

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unstable.
 End of Lecture 2

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