Reaction with phase change, conducted in a PFR

e.g. 3.10 (slightly modified)

Consider a gas phase reaction, where one of the products can also condense at the operating
conditions. This is done in a PFR, with negligible pressure drop and at isothermal conditions.
A g 2B g C g D g ,l

The vapor pressure of D is given by PV= 16 kPa. The operating pressure is 101.3 kPa.
Let us say the reaction is a first order reaction with k = 0.1 s -1. The inlet conditions are FA0 = 10
mol/s, FB0 = 20 mol/s, Q = 1 m3/s.
(i)
(ii)
(iii)

Find the conversion (x) when condensation begins

Write CA, CB, etc in terms of conversion.
What is the volume of reactor needed to get 80% conversion?

Ans:
Let us first write the stoichiometric table. Here X c denotes the conversion at the point of
condensation.
Species
A
B
C
D (gas)
D (liquid)
D (Total)
Total (gas)
Total (liquid)
Total

Initial
FA0
2 FA0
0
0
0
0
3 FA0
0
3 FA0

At any x Xc
FA0 (1-x)
2 FA0 (1-x)
FA0 x
FA0 x
0
FA0 x
FA0 (3-x)
0
FA0 (3-x)

At any x Xc
FA0 (1-x)
2 FA0 (1-x)
FA0 x
YD FT,g
FA0 x- YD FT,g
FA0 x
YD FT,g + 3 FA0 -2 FA0 x
FT FT,g
FA0 (3-x)

Note that the mole fraction of D in the gas phase is given by

FD , g
yD
FT , g
Before condensation, all the species are in the gas phase. After condensation, part of D is in the
liquid phase.
At condensation, the partial pressure of D PD PV 16 kPa
FA0 x yD FT , g
FA0 x
16

101.3 FA0 3 x yD FT , g 3FA0 2FA0 x

Implying Xc = 0.41
yD

At that point, FD,l = FT,l =0. After that, it will increase.

F 3 2 xc
i.e. At the point of condensation FA0 3 xc A0
0 . We can re-arrange this also and
1 yD
get Xc.
Before condensation
F 1 x C A0 1 x
F
C A A A0

Q Q0 1 x 1 0.33x
Here, Q

FT RT FT Q0

Q0 1 x Please note that this is before condensation. Here

P
FT 0

23
0.33
3

After condensation:
FT , g RT
. Note that the liquid phase flow rate will be negligible because the liquid density is
Q
P
typically much more than the gas density.
We have to calculate the total molar flow rate in gas phase. This is obtained by rearranging the
equation
FT , g yD FT , g 3FA0 2FA0 x

FT , g

FA0 3 2 x
1 yD

Therefore,

FT , g RT
P

FA0 3 2 x RT
1 yD
P

We can use the initial conditions to get

Q0 RT

FT 0
P

Therefore,
Q

FA0 3 2 x Q0 FA0 3 2 x Q0
Q 3 2x

0
1 yD
FT 0
1 yD
3FA0
3 1 yD

The concentration can be written as CA

FA FA0 1 x 3 1 yD 3C A0 1 x 1 yD

Q
1
Q0 3 2 x
3 2x

dFA
rA . Since the expression for
dV
C A and hence rA change during condensation, we need to write this in two parts.
F dx
dFA
rA becomes A0 A kCA
dV
dV

To find the PFR volume, we need to use the design equation

Re arranging
FA0 dxA
dV
kC A
0.8

FA0 dxA

kC A

0.41

dV V

First part:
0.41
FA0 dxA
F
A0
0 kC
kC A0
A
0.41

10
0

0.8

FA0 dxA
F dx
A0 A
kC A
kC A
0.41

1 0.33x dxA
0 1 x

0.41

0.67 dxA 3.3

0
1 x

0.41

10
0.110

0.41

0.67 0.33 0.33x dxA

1 x

dxA 6.7 ln 1 x 0 3.3 0.41 4.88 m3

0.41

Second part

3 2 x dxA
3 2 x dx
FA0 dxA
FA0
10

0.41 kC

3kC A0 1 yD 0.41 1 x
3 0.110 1 0.16 0.41 1 x
A
0.8

0.8

0.8
1

2
dx

3.97

ln
1

2
x
3.97 3.21 1.35

1 x
0.41
0.41
0.8

3.97

0.8

7.4 m3

Total volume needed is roughly 12.28 m3.