Batch reactor, variable volume.

Consider a gas phase reaction A--> 2B, conducted isothermally and at constant pressure in a
batch reactor. Initially, the reactor contains 100 moles A, 50 moles of B and 100 moles of
inert materials. The reaction is second order with a rate constant of 0.005 lit mol -1 s-1. Initial
reactor volume is 10000 lit.

(a) Determine the time required for 50 % conversion. (b) What would be the time needed
for the same conversion if the experiment were conducted in a constant volume batch
reactor?

dN A
Solution: V rA .
dt

(a) Isobaric conditions. We assume ideal gas law applies. PV NT RT in standard

notations.
NT N A N B Ninert
In this particular case, NT N A N B 0 2 N A0 N A Ninert NT 0 N A0 N A

N A0 N A
Definition of conversion is x . In flow systems, under steady state conditions,
N A0
FA0 FA
x
FA0

V0 RT V
Therefore, NT NT 0 N A0 x , and since P is a constant we can write .
NT 0 P NT
V0
Therefore, V NT 0 N A 0 x
NT 0

N A2 0 1 x NT 0
2
dx
2
NA N A2
N A0
dt
2

V rA V kC A Vk
V
k
V
k
V0 NT 0 N A0 x

Therefore,

N 1 x NT 0
2
dx
k A0 . Initial condition, t=0, conversion = 0. time = ? for conversion = 0.5
dt V0 NT 0 N A0 x

NT 0 N A0 x dx k N A0 NT 0 dt
1 x
2
V0

250 100 x dx 0.005 100 250 dt

1 x
2
10000
 250 100 x dx 350 100 100 x dx 350 100 dx 0.0125dt

1 x
2
1 x
2

1 x
2
1 x

0.5
350
100ln 1 x 0.0125t
1 x 0

350
100ln 1 0.5 350 100ln 1 350 69.3147 280.68 0.0125t
1 0.5
Time t = 22450 sec = approx. 6 hr 14 min

If it were conducted in constant volume reactor,

dN A
V rA
dt
N 2 1 x
2
dx
2
N N2
N A0
dt

V rA V kC A2 Vk A k A k A0
V V V
N 1 x
2
dx
k A0
dt V
dx N 100
k A0 dt 0.005 dt 0.00005t
1 x
2
V 10000
0.5
1 1
1 1 0.00005t
1 x 0 0.5

Time t = 20000 s= approx. 5 hr 33 min