Lecture 2

Conversion and Reactor Sizing

Chemical Reaction Engineering (CRE)Outline:

is the field that studies the rates and
mechanisms of chemical reactions and
• the design of
Definition of Conversion,
the reactors Xin which they
take place. • Develop the Design Equations in terms of X
• Size CSTRs and PFRs given –rA= f(X)
• Conversion for Reactors in Series

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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 dN A
Batch = rAV t= ∫
dt rV
N A0 A
t
CSTR FA 0 − FA
V=
−rA FA
FA
PFR dFA dFA
= rA V= ∫
dV FA 0
drA
V
FA FA
PBR dFA dFA
dW
= rA′ W= ∫
FA 0
rA′
W 2
CSTR – Example Problem

Given the following information, Find V

3
υ0 = 10 dm 3
min υ = υ0 = 10 dm
C A0 min
V =? C A = 0.1C A0
FA0 = υ 0C A0
FA = υC A

Liquid phase
υ = υ0
FA = υ 0CA

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CSTR – Example Problem

(1) Mole Balance:

FA0 − FA υ 0C A0 − υ 0C A υ 0 [C A0 − C A ]
V= = =
− rA − rA − rA

(2) Rate Law:

− rA = kC A

(3) Stoichiometry:
FA FA
CA = =
υ υ0
4
CSTR – Example Problem

(4) Combine:
υ 0 [CA 0 − CA ]
V=
kCA

(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
2.3
5
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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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 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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CSTR

Steady State dN A
=0
dt

Well Mixed
FA 0 − FA
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. 11
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 dX
Batch N A0 = −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 =∫
dW 0
− rA′
W 14
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

FA 0 Area = Volume of CSTR

−rA  FA0 
V =   X 1
 − rA  X 1
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 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)
0 X1 X2 Rule (uses four data points)
 Five-Point Quadrature
Formula 20
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:

F=
Ai 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

X1 X 23
Reactors in Series

Reactor 2:
X2
FA0
V2 = ∫ dX
X1
− rA

FA0 V2
− rA

X1 X2
X 24
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

X1 X X2 X3 25
Reactors in Series

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Reactors in Series

Space time τ is the time necessary to process 1

reactor volume of fluid at entrance conditions.

V
τ=
υ0

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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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