Chemical Engineering

Department
CDB2043 REACTION ENGINEERING
CHAPTER 2: CONVERSION AND
REACTOR SIZING
(part 1)

Basic
knowledge

Application

Course Learning Outcome

At the end of the lecture, students should be able to:
1. define conversion
2. developed the design equation for batch and flow reactor
3. apply the design equation to calculate the volume of
reactors for a particular process
4. evaluate the best reactor arrangement
5. differentiate between space time and space velocity

Overview on Objective of Chapter 2

CHAPTER 1
Reactor sizing
in terms of
mole balance

CHAPTER 2
Relating mole
balance to
conversion

Re-write
reactor sizing
in terms of
conversion

APPLYING
DESIGN
EQUATION TO
SOLVE
PROBLEMS
RELATED TO
FLOW REACTOR
AND REACTOR
IN SERIES

Recap from Lecture 1

Design Equation in terms of mole
Batch

CSTR

PFR

PBR

dN A
rAV
dt

How do we relate conversion with

flow rate or moles of reactant?

What is conversion?
Consider the general equation (irreversible eqn)
aA + bB cC + dD
We will choose A as our basis of calculation
b
c
d
A B C D
a
a
a
How do we define
conversion?

Conversion
Conversion is define as:

moles of A reacted
XA
moles of A feed

MAXIMUM CONVERSION?
Irreversible Reaction

Reversible Reaction

X=1

X = Xe

Relating conversion with moles of reactant

Batch reactor
Mole of A at any time t Mole of A fed - Mole of A reacted

NA

N A0 - N A0 X

Flow reactor (CSTR and PFR/PBR)

Molar flow rate of A at any time t Molar flow rate of A at inlet Molar flow rate of A at outlet

FA

FA0 - FA0 X

Relating V to X
Now, recap back our design equation:
dN A
rAV
dt
WHAT WE HAVE JUST
DISCOVERED:

NA

N A0 - N A0 X

FA

FA0 - FA0 X

HOW TO REWRITE

V = f(X)

Develop Design Equation for batch reactor

Batch reactor

Develop Design Equation for flow reactor

CSTR

PFR

Design Equation
(Summary)
Reactor

Batch

CSTR

PFR

PBR

Differential

Algebraic

Integral

13

Reactor Sizing for flow reactor

For F L O W R E AC TO R , we can estimate the reactor
size using a L E V E N S P I E L P L OT .
What is LEVENSPIEL plot?
From a given data of and X, and a knowN value of FA0:
rA

FA0/-rA

FA0/-rA

X
14

Reactor Sizing for flow reactor

Knowing rA = f(XA), reactor size can be determine
using Levenspiel plot
Consider the design equation for CSTR

FA0 X
V
rA

Reactor Sizing for flow reactor

Consider the design equation of a PFR

FA0

dX
rA
dV

Reactor Sizing for flow reactor

Example 2-2 / 2-3: Sizing a CSTR / PFR
The gas phase reaction A B is carried out
TABLE 2.1

in a CSTR and the entering molar flow rate

of A is 0.4 mol/s. Using data in Table 2-1:

XA

-rA (mol/m3.s)

1.

0.0

0.45

0.1

0.37

0.2

0.30

0.4

0.195

0.6

0.113

Re-do the problem if the reaction is

0.7

0.079

carried out in a PFR.

0.8

0.05

Calculate the volume required to

achieve 80% conversion. Shade the
area on the Levenspiel plot that
corresponds to this conversion.

2.
3.
17

Any comment on the reactor size?

Solution Ex 2-2: Sizing for CSTR

TABLE 2.1

1
FA0 X
V
rA

DESIGN EQUATION OF CSTR!!

XA

-rA (mol/m3.s)

1/-rA
3.
(m .s/mol)

FA0/-rA
(m3..s/mol)

0.0

0.45

2.22

0.89

0.1

0.37

2.70

1.08

0.2

0.30

3.33

1.33

0.4

0.195

5.13

2.05

0.6

0.113

8.85

3.54

0.7

0.079

12.70

5.06

0.8

0.05

20.00

8.00

Solution Ex 2-2: Sizing for PFR

TABLE 2.1

0.8

FA0
dX
rA

DESIGN EQUATION OF PFR!!

Use 5-point quadrature formula:

XA

-rA
(mol/m3.s)

FA0/-rA
(m3..s/mol)

0.0

0.45

0.89

0.2

0.30

1.33

0.4

0.195

2.05

0.6

0.113

3.54

0.8

0.05

8.00

X4

X0

f X dX

h
f0 4 f1 2 f 2 4 f3 f 4
3

X4 X0
h
4

Summary what we have learned:

Important things to remember
General mole balance
Mole balance equations for
each reactor
Design equations for each
reactor
Conversion
Reactor sizing

Volume
CSTR

Volume PFR

Reactors in Series
Knowing rA = f(XA), we can design any sequence of
reactors
Provided theres no side reactors, conversion at any
reactor outlet is define as:
Xi

total moles of A reacted up to point i

mole of A fed to first reactor

Reactors in series

Try and develop these design

equations..

2 CSTR in series
FA1
X1=0.4

FA0

10

FA0/-rA

6
4

FA2
X2=0.8

2
0
0

0.1

0.2

0.3

0.4

0.5

Conversion, X

0.6

0.7

0.8

0.9

2 PFR in series
10
8
FA0/-rA

FA1
X1=0.4

FA0
1

6
4
2
0

FA2
X2=0.8

0.1

0.2

0.3

0.4

0.5

Conversion, X

0.6

0.7

0.8

0.9

CSTR in series = 1 PFR

Equals to
1

As no. of CSTR in series increases, the total volume required for a given
conversion is similar to the volume of one PFR

CSTR in series = 1 PFR

10

CSTR 5
8
FA0/-rA

CSTR 4
6

CSTR 3
4

CSTR 2
CSTR 1

PFR

0
0

0.2

0.4

0.6

Conversion, X

0.8

Reactors in series
Example 2-5: Comparing volumes for CSTR in
series
From data below, calculate the volume of CSTR if 2 CSTR in series
is use for the reaction. Given that the intermediate conversion is
40% and the final conversion is 80%. Then, use the Levenspiel
plot to help you explain on the difference of the reactor volume for
single CSTR and CSTR in series.
Will there be any difference in volume if the reaction is carried out
in 2 PFR in series? Use the Levenspiel plot to explain your answer.
X

0.0

FA0/-rA 0.89

0.1

0.2

0.4

0.6

0.7

0.8

1.09

1.33

2.05

3.54

5.06

8.0

Answer Example 2-5

FA0

2.0m 3
rA X 0.4

V1 2.0m 3 0.4

10

V1 0.8m 3
FA0/-rA

FA0

8.0m 3
rA X 0.8

FA0
X 2 X 1
V2
rA2
V2 8.0m 3 0.8 0.4 3.2m 3

6
4
2
0
0

0.1

0.2

0.3

0.4

0.5

Conversion, X

VT = V1 +V2 = 0.82 + 3.2 = 4.02 m3

0.6

0.7

0.8

0.9

Reactors in series
Example 2-6: Sizing plug flow reactors in series
Redo Example 2-5 but using 2 PFR in series. The
intermediate and final conversion remains the same. The

flow rate, FA0, also remains the same.

Answer Example 2-6

Use Simpsons three-point rule
X2

f ( x)dX

X0

0.4

V1 FA0
0

dX
rA

X
f X 0 4 f X 1 f X 2
3
0.8

dX
rA
0.4

V2 FA0

FA0
FA0
FA0

FA0
FA0
X FA0

r
(
0
)

r
(
0
.
2
)

r
(
0
.
4
)
A
A
A
V2

3 rA (0.4)
rA (0.6) rA (0.8)
0.2
0.89 41.33 2.05m3 0.551m3
V1
0.2
3
2.05 43.54 8.0m3 1.614m3
V1
3
V1

X
3

VT V1 V2 0.551 1.614m3 2.165m3

This is the same volume if we were to calculate for a single PFR to achieve the same
conversion.

Reactors in series
Example 2.7 An adiabatic liquid phase isomerisation
The isomerisation of butane was carried out adiabatically in
the liquid phase and the data in Table 2-7 was obtained. The
entering molar flow rate of n-butane of 50 kmol/hr.
Table 2-7
X

-rA (kmol/m3.hr) 39

0.2

0.4

0.6

0.65

53

59

38

25

Given the reactor scheme in Figure E 2-7.1, use Levenspiel

plot to show how to calculate the reactor volume

Reactors in series

V1
X2=0.6
X1=0.2

X3=0.65

Figure E2-7.1

Levenspiel plot for adiabatic reactors in series

2.50

FA0/-rA

2.00

1.50

1.00

0.50

CSTR

0.00
0.00

0.10

0.20

PFR
0.30

0.40

0.50

0.60

0.70

Conversion, X

1st CSTR
33

PFR

2nd CSTR

Some further definitions

Relative rate of reaction
Obtained from stoichiometric ratio
Example:

rA rB rC rD

a
b
c
d

Space time
Also know as Mean Residence Time or Holding Time
Defined as the time necessary to process one reactor volume of fluid based on
entrance condition (volumetric flow rate)

Volume of reactor

Fluid

Volumetric flowrate

Reactor

Space time = time it for the fluid to enter the reactor completely

Some further definitions

Space velocity (SV)
2 common measures of space velocity
Liquid hourly space velocity (LHSV)
Liquid flowrate measured at 60 - 70oF
Gas hourly space velocity (GHSV)
Gas flow rate measured at STP
Given by:
vo
SV
V
1

END OF LECTURE

37