CEB 2043

REACTION ENGINEERING I
Chapter 02: Conversion & Reactor Sizing

AQSHA
UNIV. TEKNOLOGI PETRONAS, MALAYSIA
AQSHA@UTP.EDU.MY
SEPTEMBER 2020

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SYLLABUS & TIMELINE

WEEK TOPIC ASSESSMENT NOTE

1 Chapter 0: Introduction to reaction engineering
2 Chapter 1: Introduction & mole balances Assignment 1
3 Chapter 2: Conversion and reactor sizing Quiz 1 Pop-Up
4 Chapter 3: Rate laws and stoichiometry Test 1 Will be scheduled
5 Chapter 4: Isothermal Reactor design – Batch & CSTR
6 Chapter 4: Isothermal Reactor design – PFR & PBR Assignment 2
7 Chapter 5: Collection & analysis of rate data Quiz 2 Pop-Up
8 Chapter 6: Multiple reactions - Introduction Test 2 Will be scheduled
9 Chapter 6: Multiple reactions – Series and Parallel
10 Chapter 8: Steady state non-isothermal reactor design Integrated Project Reactor Design
11 Chapter 10: Catalysis & Catalytic Reactor
12 Review – Study Week – Final Exam Prep Project Submission
REACTION ENGINEERING

Heat Effects
Isothermal Design

Stoichiometry
Rate Laws
Mole Balance

CRE Algorithm
CHAPTER 02 – CONVERSION & REACTOR SIZING

1. Introduction
2. Batch Reactor Design Equation
3. Flow Reactors (CSTR, PFR, PBR) Design Equation
▪ Continuously Stirred Tank Reactor (CSTR)
▪ Plug Flow Reactor (PFR)
▪ Packed Bed Reactor (PBR)
4. Reactor in Series

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering

INTRODUCTION

▪ Review of Chapter 01
▪ 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

These materials is adapted from Fogler: Essential of Chemical Reaction Engineering

DEFINITION OF CONVERSION

Consider the generic reaction

a A + bB ⎯
⎯→ c C + d D
Choose 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
These materials is adapted from Fogler: Essential of Chemical Reaction Engineering
CONVERSION

moles A reacted
X=
moles A fed

Batch Flow
N A0 − N A FA0 − FA
X= X=
N A0 FA0
NA0 = Moles A initially
NA = Moles A remaining
FA0 = Rate of moles A fed (input)
FA = Rate of moles A leaving (output)
These materials is adapted from Fogler: Essential of Chemical Reaction Engineering
MOLE BALANCE SUMMARY
BATCH REACTOR

 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
dX
N A0 = −rAV
dt
BATCH REACTOR

dX rAV t =0 X =0
=−
dt N A0 t =t X = X
X=0
Integrating NA=NA0
X
dX
t = N A0 
0
− rAV NA

t is the amount of time needed to achieve X=X

conversion X or to reduce the number of NA=NA
moles of A from NA0 to NA. t
CSTR – CONTINOUS STIRRED TANK REACTOR

In − Out + Generation = Accumulation

dN A
FA 0 − FA +  rA dV =
dt

dN A
Steady State =0
 dt
FA 0 − FA
Well Mixed V=
−rA
 r dV = r V
A A


11
CSTR – CONTINOUS STIRRED TANK REACTOR

 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= V = CSTR volume necessary to achieve conversion X.
− rA
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PFR – PLUG FLOW REACTOR
V
dFA
= rA
dV
FA FA

FA = FA0 − FA0 X
V V + V
Steady State  

dFA = 0 − FA0 dX

− FA0 dX
= rA
dV
13
PFR – PLUG FLOW REACTOR

V =0 X =0 V
FA0
dX = dV
V =V X = X − rA
FA FA

Integrating X
FA0
V = dX
− rA V V + V
 
0

X
dX
V = FA0 
0
− rA 

PFR volume necessary to achieve conversion X.

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PBR – PACKED BED REACTOR
W
dFA
= rA '
dW FA FA

FA = FA0 − FA0 X
W W + W
 
Steady State
dFA = 0 − FA0 dX

− FA0 dX
= rA '
dW
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PBR – PACKED BED REACTOR
W
V =0 X =0 FA0
dX = dW
V =V X = X − rA ' FA FA
Integrating X
FA0
W = dX W W + W
0
− rA '  
X
dX
W = FA0 
0
− rA '

W is the weight of catalyst necessary to achieve conversion X.

16
MOLE BALANCE SUMMARY – IN CONVERSION
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

19
LEVENSPIEL PLOTS – CSTR VOLUME

FA0 X FA0
V= = X
− rA − rA

FA0 Area = Volume of CSTR

−rA  FA0 
V =   X 1
 − rA  X1
X1

20
LEVENSPIEL PLOTS – PFR VOLUME

X
dX
V = FA0 
0
− rA

FA 0 Area = Volume of PFR

−rA  FA 0 

X1
V=   dX
0
 −rA 

X1

21
LEVENSPIEL PLOTS – CSTR & PFR VOLUME

22
NUMERICAL EVALUATION OF INTEGRAL

The integral to calculate the PFR volume can be evaluated using method as
Simpson’s One-Third Rule
1
− rA X
FA0 x  1 4 1 
V = dX = FA0  + + 
1 0
− rA 3  − rA ( 0) − rA ( X / 2) − rA ( X ) 
− rA ( X 2 )

Other numerical methods are:

1  Trapezoidal Rule (uses two data points)
− rA ( X 1 )  Simpson’s Three-Eight’s Rule (uses four data points)
1  Five-Point Quadrature Formula
− rA (0) X1 X2
0

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REACTOR IN SERIES

24
REACTOR 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 X i

25
REACTOR IN SERIES

26
REACTOR IN SERIES

Reactor #1: CSTR No.1 from X0 = 0 to X1=0.2

FA1 = FA0 − FA0 X 1

FA0 − FA1 FA0 − (FA0 − FA0 X 1 ) FA0 X 1

V1 = = =
− rA1 − rA1 − rA1

FA 0 V1
− rA

X0 X1 X
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REACTOR IN SERIES

Reactor #2: PFR from X1 = 0.2 to X2=0.6

X2
FA0
V2 =  dX
X1
− rA

FA0 V2
− rA

X0 X1 X2 X
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REACTOR IN SERIES

Reactor #3: CSTR No.2 from X2 = 0.6 to X3=0.65

FA2 − 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


X0 X1 X X2 X3 29
REACTOR IN SERIES

30
REACTOR IN SERIES – SPACE TIME

Space time τ is the time necessary to process 1 reactor volume of fluid at

entrance conditions.
V
=
0

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