ERT 316

ISOTHERMAL REACTOR DESIGN

OBJECTIVES
Students should be able to:
Describe the algorithm that allows the reader to solve chemical reaction
engineering problems through logic rather than memorization.

Size batch reactors, CSTRs, PFRs, and PBRs for isothermal operation given the
rate law and feed conditions.

Account for the effects of pressure drop on conversion in packed bed tubular
reactors.

START
1. The general
mole equation

Algorithm for
Isothermal Reactor

END

2. Design Equations:
Batch
CSTR
PFR

3. Is
rA=f(X)
given?

YES

NO

Evaluate the
algebraic (CSTR)
or integral (PFR)
equations

4. Determine the rate law in

terms of the concentration
of the reacting species
5. Use Stoichiometry to express
concentration as a function of conversion
Copyright Cheng 05
Liquid phase or Gas phase
Constant Volume Batch
Constant P and T

6. Combine steps 4 and

5 to obtain rA=f(X)

4.1 Design Algorithm for Isothermal Reactors

To design an isothermal reactors, the following sequence is
highly recommended.

4.1 Design Algorithm for Isothermal Reactors

To carry out the evaluation, the following
method can be used:
Graphically (Chapter 2 plot)
Numerical (Quadrature Formulas Chapter
2 and Appendix A4)
Analytical (Integral Tables)
Software (Polymath)

Algorithm for isothermal

Reactor (PFR reactor volume
For 1st order gas-phase rxn
Copyright Cheng 05

Scale up of Batch Reactor to

the design of CSTR
-scale up
-pilot plant-costly
-instead-build microplant(laboratory
bench scale)
-example: analyze data from a
laboratory batch reactor-determine
specific reaction rate, k-use it to design
full-scale flow reactor

 In order for you to use data

from batch reactor-get data in
terms of measured variable

Scale up of Batch Reactor to the design

of CSTR
- Calculation of time taken to achieve a given conversion X

AB
Step 1: Write the mole balance
dX
N A0
rAV
dt
Step 2: Write the rate law

rA kC A2

Example for second order

reaction

Step 3: Derive concentration term from stoichiometry

C A C A 0 1 X

Scale up of Batch Reactor to the design

of CSTR
- Calculation of time taken to achieve a given conversion X

AB
Step 4: Combine equation from step 1,2,3

dX
2
kC A0 1 X
dt
Step 5: Evaluate
t

1
0 dt kC A0
1
t
kC A0

dX
0 1 X 2

1 X

This is the reaction time

or tR

Algorithm to estimate reaction time

Mole Balance

Rate Law

N A0

dX
rAV
dt R

First order

Second order

rA kC A
Stoichiometry

Combine
Evaluate
(integrate)

CA

rA kC A2
NA
C A 0 1 X
V0

dX
k 1 X
dt R

tR

1 1
ln

k 1 X

dX
2
kC A0 1 X
dt R

1 X
tR

kC A0 1 X

Scale up of Batch Reactor to the design

of CSTR
- Calculation of time taken to achieve a given conversion X

AB
To reach 90% conversion in a constant-volume batch
reactor scales:
1 1
t R ln

k 1 X

1
1
ln

k 1 0 .9

if k = 10-4 s-1
tR

2.3
23000 s 6.4h
4 1
10 s

For first order

4.2 Design of CSTR

Step 1: Write the mole balance of CSTR
Design equation for CSTR is V FAO X v0C AO X
( rA ) exit

( rA ) exit

If volumetric flow rate does not change with the

reaction, (i.e. v = v0), then

V v0C A0 X C A0 X

v0
rAv0
rA
where is the space time

4.2 Design of CSTR

Step 2: Write the rate law
For 1st order irreversible reaction, rA kC A
Step 3: Derive concentration in terms of conversion
(from stoichiometry)

C A C A 0 1 X

Step 4: Combine eq from step 1,2, 3

1 X

k 1 X
Rearranging;

k
X
1 k

k is often referred to as
Damkhler number (for
1st order)

4.2 Design of CSTR

Step 2: Write the rate law
For 1st order irreversible reaction, rA kC A
Step 3: Derive concentration in terms of conversion
(from stoichiometry)
C A0
C A C A 0 1 X
CA
1 k
Step 4: Combine eq from step 1,2, 3

1 X

k 1 X
Rearranging;

k
X
1 k

Damkhler number
Is the ratio of the rate of reaction of A to the rate of
convective transport of A at the entrance to the
reactor.
rA0V
Da
rate of reaction at entrance
FA0
entering flow rate of A
For first order irreversible reaction;
r V kC V
Da A0 A0 k
FA0
v0C A0
For second order irreversible reaction;
rA0V kC A2 0V
Da

kC A0
FA0
v0C A0

How to estimate degree of conversion for a

CSTR?
By using Damkohler number,

rA0V
Da
FA0
If Da 0.1, X < 0.1
If Da 10, X > 0.9
If first degree order, Da = k
If second degree order, Da =kCA0

Rule of thumb

4.2 Design of CSTR (for first order)

For CSTRs in series, conversion as a function of
the number of tanks in series:

1
X 1
n
(1 k )
For CSTRs in parallel, conversion is:

k
X
1 k

Just like a single

CSTR

Example: Producing 200 Million

Pounds per Year in a CSTR
It is desired to produce 200 million pounds per year of ethylene
glycol (EG). The reactor is to be operated isothermally. A 1lb
mol/ft3 solution of ethylene oxide (EO) in water is fed to the
reactor shown in figure together with an equal volumetric
solution of water containing 0.9 wt% of the catalyst H2SO4. The
specific reaction rate constant is 0.311 min-1 .
(a) If 80% conversion is to be achieved, determine the necessary
CSTR volume.
(b) If 800-gal reactors were arranged in parallel, what is the
corresponding conversion?
(c) If 800-gal reactors were arranged in series, what is the
corresponding conversion?

Example: Producing 200 Million

Pounds per Year in a CSTR
v0VV

A B catalyst
C

Example: Producing 200 Million

Pounds per Year in a CSTR
Extract the given information:
FC = 2 x 108 lbm/yr x 1 yr/365 days x 1day/24 h x 1hr/60 min x 1lbmol/62lbm
= 6.137 lbmol/min
From reaction stoichiometry,
FC = FA0X

FA0

FC 6.137
lbmol

7.67
X
0.8
min

Example: Producing 200 Million

Pounds per Year in a CSTR
STEP 1: Design equation of CSTR

FAO X
V
( rA ) exit
STEP 2: Rate Law

rA kC A
STEP 3: Stoichiometry (Liquid phase, v = v0 )

C A C A 0 1 X

STEP 4: Combining;

FA0 X
v0 X
V

(rA ) exit k (1 X )

Example: Producing 200 Million

Pounds per Year in a CSTR

v0VV

STEP 5: Evaluate
The entering volumetric flowrate of stream A, with CA01 = lb mol/ft3 before
mixing is;

v A0

FA0 7.67lbmol / min

ft 3

7.67
3
C A01
1lbmol / ft
min

From the problem statement,

vB 0 v A0

Thus, the total entering volumetric flow rate of liquid is

v0 v A0 vB 0

ft 3
7.67 7.67 15.34
min

Substituting all the values to calculate volume of reactor;

FA0 X
v0 X
ft 3
0.8
3
V

15.34

197
.
3
ft
( rA ) exit k (1 X )
min 0.311 min 1 1 0.8

Example: Producing 200 Million

Pounds per Year in a CSTR
b) CSTR in parallel.
Rearranging the equation of volume in part a)

v0 X
k (1 X )
V
X

v0 k (1 X )

X
k (1 X )

k
Da

(1 k )
(1 Da)

X
(1 X )

Example: Producing 200 Million

Pounds per Year in a CSTR
b) CSTR in parallel.

k
Da

(1 k ) (1 Da)

V
1 ft 3
1
800 gal

13.94 min
3
v0
7.48 gal 7.67 ft / min
Da k 13.94 min 0.311 min 1 4.34

4.34
0.81
(1 4.34)

Example: Producing 200 Million

Pounds per Year in a CSTR
b) CSTR in series

1
X 1
(1 k ) n
V
1 ft 3
1
800 gal

6.97 min
3
v0
7.48 gal 15.34 ft / min
Da k 6.97 min 0.311 min 1 2.167

1
X 1
0.90
2
1 2.167

4.3 PFR
Assume no dispersion and no radial gradients in
either temperature, velocity, or concentration and in
the absence of pressure drop or heat exchange.
STEP 1: Write the mole balance of PFR:
X

V FA0
0

dX
rA

STEP 2: Write the rate law

Eg: For second order,

rA kC

2
A

4.3 PFR
STEP 3: Write concentration in terms of conversion
(from stoichiometry)

C A C A 0 1 X
1 X
C A C A0

1 x

For liquid phase

For gas phase

4.3 Tubular Reactor

STEP 4: Combine all the equations
F
V A20
kC A0

v0 X
dX

0 1 X 2 kC A0 1 X

Rearranging,

FA0
V
kC A2 0
v
0
kC A0

For liquid phase

kC A0
Da2

1 kC A0 1 Da2

1 X 2 dX
0 1 X 2
X

For gas phase

(1 ) 2 X
2 (1 ) ln(1 X ) X

1 X

Design a PFR: summary

In case of 2nd order
rxn, liquid phase,
isothermal
No pressure drop

dX
FA0
rA
dV

mole balance

No heat exchange

V FA0

dX
rA

rA kC A2

rate laws
Stoichiometry

C A C A0 (1 X )
FA0
V 2
kC A0

combination

or

dX
v0C A0 X

2
2
1 X kC A0 1 X

kC A0
Da2
X

1 kC A0 1 Da2
Damkhler number for 2nd-order reaction

Design a PFR: summary

In case of 2nd order rxn, gas
phase, isothermal

mole balance
rate laws
Stoichiometry
combination

dX
FA0
rA
dV

No pressure drop
No heat exchange

V FA0

dX
rA

rA kC A2
FA0 (1 X )
FA
FA
(1 X )
CA

C A0
v v0 (1 X ) v0 (1 X )
(1 X )
2

1 X
V FA0
dX
2
2
0
kC A0 1 X
X

v0
V
kC A0

X
2
2 (1 ) ln(1 X ) X

1 X