Isothermal Design: Batch

Because there is no spatial variation (perfect mixing) for batch reactors the mole balance can
be written as

dN A
 (rA )V
dt

where rA is the rate of disappearance of A for a batch reactor, but also since NA0 is constant

dN A dX dX
 0  N AO   N AO
dt dt dt

Therefore this reduces to

dX
 N A0  rAV
dt

And assuming a constant volume

N AO dX
  rA
V dt
dX
 C AO  rA
dt

Let us look ar different cases of reaction rates (rA).

 rA  kCA

The design equation reduces to

  kC A  C A  C AO 1  X 
dX
 C A0
dt
 kC AO 1  X 
dX
C A0
dt
 k 1  X 
dX
dt
1
dX  kdt
1  X 
1
( ) dX  kdt
1 X

Integrating the above from t = 0 to t = t and X = 0 to X = x

1
( ) dX  k dt
1 X
X t
1

0
1 X
dX  k 
0
dt

ln 1  X   kt
1  1 
t  ln  
k 1 X 
For an irreversible first order reaction A  B where volume is constant and the rate law is
given by

 rA  kCA
2

The design equation reduces to

 kC A  C A  C AO 1  X 
dX 2
C A0
dt
C A0
dX
dt
2

 kC AO 1  X 
2

 kC AO 1  X 
dX 2

dt
1
dX  kC AO dt
1  X 2
Integrating the above from t=0 to t=t and X=0 to X=x

1
dX  kC AO dt
1  X 2
X t
1
 1  X 
0
2
dX kC AO  dt
0

X
 kC AO t
1 X
1 X
t 
kC AO 1  X
 Exercise

Calculate the time required to achieve 90% conversion for a constant volume batch reactor if
-4 -1
the value of k is 10 s and CA0 is 10 mol/L for both first and second order reactions.

Comment on your answers

From the batch design equation for first order we get

1  1 
t ln  
k 1 X 
1 1
 4
ln
1  10 1  0.9
 23025.85s  6.4h

From the batch design equation for second order we get

1 X
t
kC AO 1  X
1 0.9
 
0.0001  10 1  0.9
 9000 s  2.5h
 CSTR

The variation in volume for a CSTR can be written as

FA0  FA  rAV  0
rAV  FA  FA0
F A  FA 0
V  FA  FA0  FA0 X  rA  kCA
n

rA
F A 0  F A 0  FA 0 X FA 0 X
V n
 n
kCA kCA

FAO is the molar flow rate of reactant A when it is fed into the reactor, FA is the molar flow
rate at which A leaves the reactor. The equation calculates the volume required to achieve a
specified conversion
Therefore for first order reaction

FA 0 X
V    rA  kC A
 rA
FA 0 X
  C A  C AO 1  X 
kC A
FA 0 X F
  AO   O
kC AO 1  X  C AO
OX
V 
k 1  X 
V X
 
 O k 1  X 
 CSTR
For a second order

FA 0 X
V   rA  kC A
2

 rA
FA 0 X
 2
 C A  C AO 1  X 
kC A
FA 0 X FAO
  O
kC AO 1  X 
2 2
C AO
OX
V 
kC AO 1  X 
2

V X
 
O kC AO 1  X 
2
 Exercise
A 1st order irreversible reaction, with k
= 0.01 s−1 is required to reach 30%
conversion. (Assume constant volume).
What CSTR reactor volume and
residence time would be required given
a volumetric flow rate of 10−3 m3s−1?
Answer: V=0.043
Residence time=42.8s
 PFR
dFA dX X dX
  rA  FA0  rA  V  FA0 
dV dV 0 r
A

The mean
X dX residence time
V  FA 0   rA  kCA  C A  C A0 (1  X )  F A0 C AO 0 for PFR is
0  rA
calculated as
FA 0 X dX  1
V
kCA0  0 1 X
  0 ln(1  X )    ln(1  X )
k k
follows for first
order reactions
the
 PFR
A 1st order irreversible reaction, ,
what PFR reactor volume and
residence time would be required
given a volumetric flow rate of 10−3
m3s−1?
Answer: 0.036
Residence time=36s