Chemical Engineering

Department
CCB3043 KINETICS AND REACTOR
DESIGN

CHAPTER 2: CONVERSION AND
REACTOR SIZING
(part 1)


1
Basic
knowledge
Application
1. Define conversion
2. Develop design equation for batch reactor
3. Develop design equation for flow reactor
4. Applying design equation to solve reactor problems
5. Applying design equation to reactors in series
6. Differentiate between space time and space velocity


3
OBJECTIVES OF CHAPTER 2
4
Overview on Objective of Chapter 2
Re-write
reactor sizing
in terms of
conversion
Reactor sizing
in terms of
mole balance
Relating mole
balance to
conversion
CHAPTER 1
CHAPTER 2
APPLYING
DESIGN
EQUATION TO
SOLVE
PROBLEMS
RELATED TO
FLOW REACTOR
AND REACTOR
IN SERIES
What is conversion?
Consider the general equation (irreversible eqn)
aA + bB cC + dD
We will choose A as our basis of calculation



D
a
d
C
a
c
B
a
b
A + +
How do we define
conversion?
Conversion
Conversion is define as:




feed A of moles
reacted A of moles
=
A
X
MAXIMUM CONVERSION?
Irreversible Reaction
X = 1
Reversible Reaction
X = X
e
7
Conversion
How do we
relate
conversion with
flow rate or
moles of
reactant?
8
Relating conversion with moles of reactant




Batch reactor




( ) ( )
( )( )
X N
X N
A
A
0
0
.

reacted A of Mole
onversion C fed A of Moles reacted A of Mole
=
=
=
reacted A of Mole - fed A of Mole time any at A of Mole = t
X N N N
A A A 0 0
- =
0
0
-

A
A A
N
N N
X =
9
Relating conversion with molar flow rate
Flow reactor (CSTR and PFR/PBR)
( ) ( )
( )( )
X F
X F
A
A
0
0
.

reacted A of flowrate Molar
onversion C fed A of flowrate Molar reacted A of flowrate Molar
=
=
=
t = Molar flowrate A at any time
Molar flowrate A fed - Molar flowrate A reacted
X F F F
A A A 0 0
- =
0
0
-

A
A A
F
F F
X =
Now, recap back our design equation:

10
Relating V to X
dt
dN
V r
A
A
=
HOW TO RE-
WRITE
V = f(X)
WHAT WE HAVE JUST
DISCOVERED:








0
0
-

A
A A
N
N N
X =
0
0
-

A
A A
F
F F
X =
Develop Design Equation for batch reactor
Batch reactor
}

=
=
X
A
A
A
A
V r
dX
N t
V r
dt
dN
0
0
PFR
0
A
A
A
A
A
dF
r
dV
dX
V F
r
=
=

}
CSTR
A
A
A A A
r
X F
V
V r F F

=
= +
0
0
0
Develop Design Equation for flow reactor
Design Equation
(Summary)
Reactor Differential Algebraic Integral

Batch




CSTR



PFR




PBR




Example:
E. 2-1: Using ideal gas law to calculate C
AO
and F
A0

A gas of pure A at 830 kPa (8.2 atm) enters a reactor with a
volumetric flow rate, v
0
of 2 dm
3
/s at 500K. Calculate the
entering concentration of A and its molar flow rate.
15
For FLOW REACTOR, we can estimate the reactor
size using a LEVENSPI EL PLOT.
What is LEVENSPIEL plot?
From a given data of and X, and a know value of F
A0
:

16
Reactor Sizing for flow reactor
r
A
X F
A0
/-r
A
F
A0
/-r
A
X
Reactor Sizing for flow reactor
Knowing r
A
= f(X
A
), reactor size can be determine
using Levenspiel plot
Consider the design equation for CSTR



A
0 A
r
X F
V

=
Consider the design equation of a PFR
Reactor Sizing for flow reactor
A 0 A
r
dV
dX
F =
Example 2-2 / 2-3: Sizing a CSTR / PFR
The gas phase reaction A B is carried out
in a CSTR and the entering molar flow rate
of A is 0.4 mol/s. Using data in Table 2-1:
1. Calculate the volume required to
achieve 80% conversion. Shade the
area on the Levenspiel plot that
corresponds to this conversion.
2. Re-do the problem if the reaction is
carried out in a PFR.
3. Any comment on the reactor size?

19
Reactor Sizing for flow reactor
X
A
-r
A
(mol/m
3
.s)
0.0 0.45
0.1 0.37
0.2 0.30
0.4 0.195
0.6 0.113
0.7 0.079
0.8 0.05
TABLE 2.1
Solution Ex 2-2: Sizing for CSTR
TABLE 2.1


X
A
-r
A
(mol/m
3
.s) 1/-r
A
(m
3.
.s/mol) F
A0
/-r
A

(m
3.
.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
( ) X F
r
V
A
A
0
1
|
|
.
|

\
|

=
DESIGN EQUATION OF CSTR!!
Solution Ex 2-2: Sizing for PFR
TABLE 2.1


X
A
-r
A

(mol/m
3
.s)
F
A0
/-r
A

(m
3.
.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
0.8
0
0
A
A
F
V dX
r
=

}
DESIGN EQUATION OF PFR!!
Use 5-point quadrature formula:
( ) ( )
4
0
0 1 2 3 4
4 2 4
3
X
X
h
f X dX f f f f f = + + + +
}
4 0
4
X X
h

=
Summary what we have learned:
Important things to remember
Volume
CSTR
Volume PFR
General mole balance
Mole balance equations for
each reactor
Design equations for each
reactor
Conversion
Reactor sizing
Reactors in Series
Knowing r
A
= f(X
A
), we can design any sequence of
reactors
Provided theres no side reactors, conversion at any
reactor outlet is define as:
reactor first to fed A of mole
i point to up reacted A of moles total
=
i
X
Reactors in series
Try and develop these design
equations..
2 CSTR in series
1 2
0
2
4
6
8
10
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9
Conversion, X
F
A
0
/
-
r
A
F
A2

X
2
=0.8

F
A0
F
A1

X
1
=0.4

2 PFR in series

0
2
4
6
8
10
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9
Conversion, X
F
A
0
/
-
r
A
1
2
F
A0
F
A1

X
1
=0.4

F
A2

X
2
=0.8

CSTR in series = 1 PFR
5 4 3 2 1
1 2 3 4 5
Equals to
As no. of CSTR in series increases, the total volume required for a given
conversion is similar to the volume of one PFR
0
2
4
6
8
10
0 0.2 0.4 0.6 0.8 1
Conversion, X
F
A
0
/
-
r
A
CSTR in series = 1 PFR
CSTR 1
CSTR 2
CSTR 3
CSTR 4
CSTR 5
PFR
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 0.1 0.2 0.4 0.6 0.7 0.8
FA0/-rA 0.89 1.09 1.33 2.05 3.54 5.06 8.0
0
2
4
6
8
10
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9
Conversion, X
F
A
0
/
-
r
A
( )( )
3
1
3
1
3
4 . 0
0
8 . 0
4 . 0 0 . 2
0 . 2
m V
m V
m
r
F
X
A
A
=
=
=
|
|
.
|

\
|

=
( )
( )( )
3 3
2
1 2
2
0
2
3
8 . 0
0
2 . 3 4 . 0 8 . 0 0 . 8
0 . 8
m m V
X X
r
F
V
m
r
F
A
A
X
A
A
= =

|
|
.
|

\
|

=
=
|
|
.
|

\
|

=
V
T
= V
1
+V
2
= 0.82 + 3.2 = 4.02 m
3

Answer Example 2-5
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, F
A0
, also remains the same.
Answer Example 2-6
Use Simpsons three-point rule


( ) | |
3 3
1
0 0 0
1
4 . 0
0
0 1
551 . 0 05 . 2 33 . 1 4 89 . 0
3
2 . 0
) 4 . 0 ( ) 2 . 0 (
4
) 0 ( 3
m m V
r
F
r
F
r
F X
V
r
dX
F V
A
A
A
A
A
A
A
A
= + + =
(

A
=

=
}
( ) | |
3 3
1
0 0 0
2
8 . 0
4 . 0
0 2
614 . 1 0 . 8 54 . 3 4 05 . 2
3
2 . 0
) 8 . 0 ( ) 6 . 0 (
4
) 4 . 0 ( 3
m m V
r
F
r
F
r
F X
V
r
dX
F V
A
A
A
A
A
A
A
A
= + + =
(

A
=

=
}
( ) ( ) ( ) | |
2 1 0
4
3
) (
2
0
X f X f X f
X
dX x f
X
X
+ +
A
=
}
( )
3 3
2 1
165 . 2 614 . 1 551 . 0 m m V V V
T
= + = + =
This is the same volume if we were to calculate for a single PFR to achieve the same
conversion.
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.





Given the reactor scheme in Figure E 2-7.1, use Levenspiel
plot to show how to calculate the reactor volume
Reactors in series
25 38 59 53 39 -r
A
(kmol/m
3
.hr)
0.65 0.6 0.4 0.2 0 X
Table 2-7
Reactors in series
V
1

X
1
=0.2
X
2
=0.6
X
3
=0.65
Figure E2-7.1
35
Levenspiel plot for adiabatic reactors in series
0.00
0.50
1.00
1.50
2.00
2.50
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70
Conversion, X
F
A
0
/
-
r
A
1
st
CSTR 2
nd
CSTR PFR
CSTR PFR
Some further definitions
Relative rate of reaction
Obtained from stoichiometric ratio
Example:
d
r
c
r
b
r
a
r
D C B A
= =

Space time
Reactor Fluid
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)
0
u
t
V
=
Volume of reactor
Volumetric flowrate
Space time = time it for the fluid to enter the reactor completely
Space velocity (SV)
2 common measures of space velocity
Liquid hourly space velocity (LHSV)
Liquid flowrate measured at 60 - 70
o
F
Gas hourly space velocity (GHSV)
Gas flow rate measured at STP
Given by:

Some further definitions
V
v
SV
o
= =
t
1
END OF LECTURE
39