This Study Resource Was: Solution (A)

13.
16 For cracking reaction,
C3H8 (g)  C2H4 (g) + CH4 (g)
The equilibrium conversion is negligible at 300 K but becomes apprecaiable at 500 K or above. For a
pressure at 1 bar, determine:
(a) The fractional conversion of propane at 625 K.

(b) The fractional conversion of propane at 625 K and 2 bar. Assume ideal gas state.
Solution (a):
1. Schematic diagram of process
m
er as
Feed Mixture: C3H8 Product Mixture: C3H8, C2H4 and CH4;
co
T = 625 or TBD
T = 625 or TBD
eH w
2. Balance the chemical reaction and decide on the basis of
o.
calculation:
rs e
ou urc
C3H8 (g)  C2H4 (g) + CH4 (g)
On the basis of one mole C3H8 feed,

o
aC s
ni,0 ni yi
vi y re
vi
C3H8 -1 1 1- (1-)/(1+)
C2H4 1 0  /(1+)
CH4 1 0  /(1+)
ed d
 1 1 1+ 1
ar stu
v = vi = 1; n0 = ni,0 = 1; n = ni = 1+

is
yi = ni/n = (n0,i + vi)/(n0 + v) = (n0,i + vi)/(1 + )

Th
yC3H8 = (1-)/(1+)
yC2H2 = /(1+)
sh
yCH4 = /(1+)
3. Calculate K0 (i.e., at 25 oC) and K1 at 625 K. From Table C.4,
vi Hoi,298 Goi,298 viHoi,298 viGoi,298
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C3H8 -1 -104680 -24290 104680 24290
C2H4 1 52510 68460 52510 68460
CH4 1 -74520 -50460 -74520 -50460
 1 82670 42290
Ho298 =  vi Hoi,298 = 82670 J mol-1
Go298 =  vi Goi,298 = 42290 J mol-1
K0 = exp (-Go298/RT0) = exp( - 42290/8.314/298.15) = 3.8967× 10-8 (13.21)
(Pure propane is very stable at room temperature)
K 1=exp
[ ∆ H o0
RT0
T0
(1− )
T ] (13.22)
m
er as
Where T0 =298.15 K; T = 625 K and Ho298 = 82670 J mol-1. Therefore,
co
eH w
K 1=exp
[ 82670
(1−
298.15
)
]
o.
8.314∗298.15 625 = 37543385.79
rs e
ou urc
4. Calculate K2 . Ffrom Table C.1,
o
Vi Ai Bi×103 Ci×106 viAi viBi×103 viCi×106

aC s
C3H8 -1 1.213 28.285 -8.824 -1.213 -28.285 8.824

vi y re
C2H4 1 1.424 14.394 -4.392 1.424 14.394 -4.392

CH4 1 1.702 9.081 -2.164 1.702 9.081 -2.164
 1 1.913 -4.81 2.268
ed d
ar stu
A = viAi = 1.913
B = viBi = -4.81 × 10-3
C = viCi = 2.686 × 10-6
is
 = T0/T = 298.15/625 = 0.477

Th
sh
2
τ −1¿
¿
τ−1 ¿2 (τ +2)
¿
τ −1¿ 2
¿
¿
¿
¿
[
∆ A lnτ −
τ−1 1
τ ]
+ ∆ B T0 ¿
2
K 2=exp ¿
0.477−1¿2
¿
0.477−1 ¿2 (0.477 +2)
m
¿
er as
¿ =1.3105
co
¿
eH w
−3
[
1.913 ln 0.477−
0.477
+ ]
0.477−1 −4.81×10 × 298.15
2
¿
o.
rs e
¿ exp ¿
ou urc
K = K0 K1 K2 = 3.8967× 10-8 × 37543385.79 × 1.3105 = 1.92
o
(At 625 K, propane cracking will take place spontaneously until equilibrium is established.)
aC s
5. Calculate equilibrium fractional conversion (Part a)

vi y re
For gas phase reaction,

vi
fî
()
ed d
K= (13.10)
f oi
ar stu
The standard condition of gas requires it to be pure ideal gas at 1 bar, for which, foi = Po = 1 bar.
Therefore,
is
vi
fî
( )
Th
K= (13.26)
Po
^y P
fî =❑
sh
Recall that, i i , then,
vi
î y i P
K=
( ❑
Po )
−v
î y i ) v =K P
(❑ i
P( )
o (13.27)
^ =1
❑
At a reaction pressure of 1 bar, we can assume the gases are ideal gas, therefore, i and
−v
P
vi
( y i ) =K ( )
P
o (13.28)
Applying to this question,
1+ ¿
1− ¿¿
¿
¿
m
1+ ¿
er as
❑
¿
co
¿
eH w
1+ ¿
o.
❑
¿
¿ rs e
ou urc
¿
¿
¿
¿
o
aC s
Reorganize the above equation gives:

vi y re
2 = 1.92 – 1.92 2
2 = 1.92/2.92
ed d
 = 0.81 ( cannot be negative). The value of  is the fractional conversion (Answer for Part a)
ar stu
Solution (Part b)
is
K for a given reaction is a function of temperature only: K = 1.92

Th
When the pressure is 2 bar, it is still reasonable to assume ideal gas state. Therefore,
2 −v
P
( y i ) = ❑ 2 =K o
v
(P )
sh
1−❑ = 1.92(2/1)-1 = 0.96
2 = 0.96 – 0.96 2
2 = 0.96/1.96 = 0.490
 = 0.71 (Answer)
Increasing pressure causes the value of  to decrease, i.e, reducing the conversion of the reaction. In
other words, the reaction is shifted to the reactant side. The reason: v = 1 > 0 for this reaction.
m
er as
co
eH w
o.
rs e
ou urc
o
aC s
vi y re
ed d
ar stu
is
Th
sh
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13.

16 For cracking reaction,

C3H8 (g)  C2H4 (g) + CH4 (g)

(a) The fractional conversion of propane at 625 K.

1. Schematic diagram of process

On the basis of one mole C3H8 feed,

v = vi = 1; n0 = ni,0 = 1; n = ni = 1+

yi = ni/n = (n0,i + vi)/(n0 + v) = (n0,i + vi)/(1 + )

3. Calculate K0 (i.e., at 25 oC) and K1 at 625 K. From Table C.4,

vi Hoi,298 Goi,298 viHoi,298 viGoi,298

Ho298 =  vi Hoi,298 = 82670 J mol-1

Go298 =  vi Goi,298 = 42290 J mol-1

K0 = exp (-Go298/RT0) = exp( - 42290/8.314/298.15) = 3.8967× 10-8 (13.21)

(Pure propane is very stable at room temperature)

Vi Ai Bi×103 Ci×106 viAi viBi×103 viCi×106

C3H8 -1 1.213 28.285 -8.824 -1.213 -28.285 8.824

C2H4 1 1.424 14.394 -4.392 1.424 14.394 -4.392

 = T0/T = 298.15/625 = 0.477

5. Calculate equilibrium fractional conversion (Part a)

For gas phase reaction,

Recall that, i i , then,

Applying to this question,

Reorganize the above equation gives:

K for a given reaction is a function of temperature only: K = 1.92

1−❑ = 1.92(2/1)-1 = 0.96

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