ERT 316

ISOTHERMAL REACTOR DESIGN

 START
Algorithm for END
Isothermal Reactor
1. The general
mole equation

2. Design Equations:
• Batch
• CSTR
• PFR
Evaluate the
3. Is – YES algebraic (CSTR)
rA=f(X) or integral (PFR)
given?
equations
NO
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
• Liquid phase or Gas phase Copyright Cheng 05
6. Combine steps 4 and
• Constant Volume Batch
• Constant P and T 5 to obtain –rA=f(X)
4.1 Design Algorithm for Isothermal Reactors

• To design an isothermal reactors, the following sequence is

highly recommended.
 Algorithm for isothermal
Reactor

Copyright Cheng 05
 Batch Operation
- Calculation of time taken to achieve a given conversion X
AB
• Step 1: Write the mole balance
dX
N A0  rAV
dt
 Batch Operation

- Calculation of time taken to achieve a given conversion X

AB
• Step 2: Write the rate law

 rA  kC A
 Batch Operation
- Calculation of time taken to achieve a given conversion X
AB
• Step 3: Derive concentration term from stoichiometry

C A  C A 0 1  X 
 Batch Operation

- Calculation of time taken to achieve a given conversion X

AB
• Step 4: Combine equation from step 1,2,3
dX
 k 1  X  N A0
dX
  rAV
dt dt
• Step 5: Evaluate  r  kC
A A

C A  C A 0 1  X 
t X
1 dX
0 dt  k 0 1  X
This is the reaction time
1  1 
t  ln  or tR
k 1 X 
Algorithm to estimate reaction time
Mole Balance dX
N A0   rAV
dt R
Rate Law First order Second order

 rA  kC A  rA  kC A2
Stoichiometry NA
CA   C A 0 1  X 
V0
Combine dX dX
 k 1  X   kC A0 1  X 
2

dt R dt R
Evaluate 1  1  1  X 
(integrate) tR  ln  tR   
k 1 X  kC A0  1  X 
 Batch Operation

- Calculation of time taken to achieve a given conversion X

AB
• To reach 90% conversion in a constant-volume batch
reactor scales:
1  1  For first order
tR  ln  
k 1 X 
1  1 
 ln 
k  1  0.9 
if k = 10-4 s-1
2.3
tR   4 1
 23000 s  6.4h
10 s
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 v0 C A 0 X C A 0 X
  
v0  rAv0  rA
where t 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 
tk is often referred to as
Rearranging; k Damköhler number (for
X 1st order)
1  k
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  CA 
C A0
1  k
Step 4: Combine eq from step 1,2, 3
1 X 
  
k 1 X 
Rearranging; k
X
1  k
 Damköhler 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
Rule of thumb

If Da  0.1, X < 0.1

If Da  10, X > 0.9

If first order, Da = k
If second order, Da =kCA0
4.2 Design of CSTR (for first order)
• For CSTRs in series, conversion as a function of
the number of tanks in series:
1 1 Only for
X  1  1 EQUAL size
(1  k ) n
(1  Da) n of reactor!

• For CSTRs in parallel, conversion is:

k
X 
1  k Just like a single
CSTR
Da

1  Da
Attendance
 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, A  B catalyst
 C
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
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

FC 6.137 lbmol
FA0    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 )
 v0VV
Example: Producing 200 Million
Pounds per Year in a CSTR
STEP 5: Evaluate
The entering volumetric flowrate of stream A, with CA01 = 1 lb mol/ft3 before
mixing is;
FA0 7.67lbmol / min ft 3
v A0   3
 7.67
C A01 1lbmol / ft min

From the problem statement, vB 0  v A0

Thus, the total entering volumetric flow rate of liquid is

ft 3
v0  v A0  vB 0  7.67  7.67  15.34
min
Substituting all the values to calculate volume of reactor;
FA0 X v0 X ft 3 0.8
V   15.34  197 .3 ft 3
 1476 gal
(rA ) exit k (1  X ) min  0.311 min 1  0.8
1
Example: Producing 200 Million
Pounds per Year in a CSTR
b) CSTR in parallel.

Rearranging the equation of volume in part a)

v0 X
V
k (1  X )
V X

v0 k (1  X )
X X
 k 
k (1  X ) (1  X )
k Da
X 
(1  k ) (1  Da )
Example: Producing 200 Million
Pounds per Year in a CSTR
b) CSTR in parallel.

k Da
X 
(1  k ) (1  Da)

V 1 ft 3 1
   800 gal   3
 13.94 min
v0 7.48 gal 7.67 ft / min

Da  k  13.94 min 0.311 min 1  4.34

4.34
X  0.81
(1  4.34)
Example: Producing 200 Million
Pounds per Year in a CSTR
c) CSTR in series

1
X  1
(1  k ) n

V 1 ft 3 1
   800 gal   3
 6.97 min
v0 7.48 gal 15.34 ft / min

Da  k  6.97 min 0.311 min 1  2.167

1
X  1  0.90
1  2.167  2
 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
dX
V  FA 0 
0
 rA
STEP 2: Write the rate law
Eg: For second order,

 rA  kC A2
 4.3 PFR
STEP 3: Write concentration in terms of conversion
(from stoichiometry)

C A  C A 0 1  X  For liquid phase

1 X 
C A  C A0   For gas phase
 1  x 
 4.3 PFR
STEP 4: Combine all the equations
X
F dX v0  X 
V  A20
kC A0 0 1  X  2 kC A0  1  X 
 For liquid phase

Rearranging,
kC A0 Da2
X 
1  kC A0 1  Da2

FA0
X
1  X  2 dX
V
kC A2 0 0 1  X  2 For gas phase

v  (1   ) 2 X 
 0 2 (1   ) ln(1  X )   X 
2

kC A0  1  X 
 Design a PFR: summary
In case of 2nd order rxn,
liquid phase, isothermal

dX No pressure drop X dX
V  FA0 
• mole balance FA0  rA 0  rA
dV No heat exchange

• rate laws  rA  kC A2
• Stoichiometry
C A  C A0 (1  X )
FA0 X dX v0C A0  X 

• combination
V 2  2  
kC A0 0 1  X  kC A0  1  X 
2

kC A0 Da2
or X 
1  kC A0 1  Da2
Damköhler number for 2nd-order reaction
 Design a PFR: summary
In case of 2nd order rxn, gas phase,
isothermal

dX No pressure drop X dX
FA0  rA V  FA0 
• mole balance
dV No heat exchange
0  rA

• rate laws  rA  kC A2
• Stoichiometry FA FA FA0 (1  X ) (1  X )
CA     C A0
v v0 (1  X ) v0 (1  X ) (1  X )
• combination

V  FA0 
X  1  X 
2
dX
kC A0 1  X 
0 2 2

v0   1   X 
2
V 2 (1   ) ln(1  X )   X 
2

kC A0  1 X 
 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, A  B catalyst
 C
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
Extract the given information:
A  B catalyst
 C
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

FC 6.137 lbmol
FA0    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 )
 v0VV
Example: Producing 200 Million
Pounds per Year in a CSTR
STEP 5: Evaluate
The entering volumetric flowrate of stream A, with CA01 = 1 lb mol/ft3 before
mixing is;
FA0 7.67lbmol / min ft 3
v A0   3
 7.67
C A01 1lbmol / ft min

From the problem statement, vB 0  v A0

Thus, the total entering volumetric flow rate of liquid is

ft 3
v0  v A0  vB 0  7.67  7.67  15.34
min
Substituting all the values to calculate volume of reactor;
FA0 X v0 X ft 3 0.8
V   15.34  197 .3 ft 3
 1476 gal
(rA ) exit k (1  X ) min  0.311 min 1  0.8
1
Example: Producing 200 Million
Pounds per Year in a CSTR
b) CSTR in parallel.

Rearranging the equation of volume in part a)

v0 X
V
k (1  X )
V X

v0 k (1  X )
X X
 k 
k (1  X ) (1  X )
k Da
X 
(1  k ) (1  Da )
Example: Producing 200 Million
Pounds per Year in a CSTR
b) CSTR in parallel.

k Da
X 
(1  k ) (1  Da)

V 1 ft 3 1
   800 gal   3
 13.94 min
v0 7.48 gal 7.67 ft / min

Da  k  13.94 min 0.311 min 1  4.34

4.34
X  0.81
(1  4.34)
Example: Producing 200 Million
Pounds per Year in a CSTR
c) CSTR in series

1
X  1
(1  k ) n

V 1 ft 3 1
   800 gal   3
 6.97 min
v0 7.48 gal 15.34 ft / min

Da  k  6.97 min 0.311 min 1  2.167

1
X  1  0.90
1  2.167  2
 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:

dX
FA0   rA
dV
STEP 2: Write the rate law
Eg: For second order,

 rA  kC A2
 4.3 PFR
STEP 3: Write concentration in terms of conversion
(from stoichiometry)

C A  C A 0 1  X  For liquid phase

1 X 
C A  C A0   For gas phase
 1  x 
 4.3 PFR
STEP 4: Combine all the equations
X
F dX v0  X 
V  A20
kC A0 0 1  X  2 kC A0  1  X 
 For liquid phase

Rearranging,
kC A0 Da2
X 
1  kC A0 1  Da2

FA0
X
1  X  2 dX
V
kC A2 0 0 1  X  2 For gas phase

v  (1   ) 2 X 
 0 2 (1   ) ln(1  X )   X 
2

kC A0  1  X 
For first order reaction,
 Design a PFR: summary
In case of 2nd order rxn,
liquid phase, isothermal

dX No pressure drop X dX
V  FA0 
• mole balance FA0  rA 0  rA
dV No heat exchange

• rate laws  rA  kC A2
• Stoichiometry
C A  C A0 (1  X )
FA0 X dX v0C A0  X 

• combination
V 2  2  
kC A0 0 1  X  kC A0  1  X 
2

kC A0 Da2
or X 
1  kC A0 1  Da2
Damköhler number for 2nd-order reaction
 Design a PFR: summary
In case of 2nd order rxn, gas phase,
isothermal

dX No pressure drop X dX
FA0  rA V  FA0 
• mole balance
dV No heat exchange
0  rA

• rate laws  rA  kC A2
• Stoichiometry FA FA FA0 (1  X ) (1  X )
CA     C A0
v v0 (1  X ) v0 (1  X ) (1  X )
• combination

V  FA0 
X  1  X 
2
dX
kC A0 1  X 
0 2 2

v0   1   X 
2
V 2 (1   ) ln(1  X )   X 
2

kC A0  1 X 
ATTENDANCE