ANSWERS FOR TUTORIAL 2

N A 0−N A F A 0 −F A C A 0 −C A C A 0−C A
1. a) X = b) X = c) X = d) X =
NA0 FA0 CA 0 C A0+ ε C A
X X
dX ν0C A 0 X ν0 dX
2. a) t=C A 0∫ b) V = c) V = ∫
0 −r A −r A C A 0 k 0 ( 1−X )
3. Given an irreversible gas-phase reaction
A  2B
CA0 = 200 mol m and 0 = 5E-3 m3 s-1, therefore FA0 = CA00 = 200x5 = 1 mol s-1
-3

a) Both the functions of 1/-rA are linear, thus:-

X 1/-rA (m3 s mol-1)

0 3
0. 3
5
1. 8
0

5
1/-rA

0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 1.1
X

b) The first volume for X1 = 0.5, VCSTR = 1000 x 3 x 0.5 = 1.5 m3. Thus, 2.9 m3 of CSTR must be
beyond X = 0.5. The conversion for the CSTR is therefore (as illustrated in the figure below)
F A0
Design equation, V = X
−r A
Substituting 1/-r term with 1/-rA equation for X>0.5
V = X [ 3.0+ 10 ( X−0.5 ) ]=X ( 10 X−2 ) =2.9
 Solving simultaneous equation yields, X = 0.65
9

5
1/-rA

0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 1.1
X

c) PFR that is to achieve X = 0.7 starts with the first 50% conversion of which size is same as
CSTR’s. VPFR1 = 1.5 m3. The second area for the PFR is trapezium, simply
VPFR2 = ½ x (3+5)x 0.2 x 1000 = 800L = 0.8m 3. Therefore, the total VPFR = 2.3 m3
9

5
1/-rA

0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 1.1
X

d) The first 50% conversion not matter to any type of reactors since the trend is linearly
horizontal whereby the area under the curve (or trendline) equals to rectangular area
whose angle is at the final conversion. The following 40% conversion (of 90% in total) has
increasing trend. Clearly, the area under the curve (or trendline) is lower than the area of
rectangular whose angle at X = 0.9. Hence, the volume of PFR, which is calculated from the
area under the curve is relatively low. In calculation it can be proven as follows:-
 VCSTR2 = 1000 x 7 x 0.4 = 2800L = 2.8m 3 while
VPFR2 = 1000 x ½ x (3+7) x 0.4 = 2000L = 2m 3 which is preferred.
4. It is given that:-
FA0 = 5.7 mol s-1 and CA0 = 1.3 mol dm-3.
C A 0−C A
a) Using X = and FA0/-rA as tabulated as follows:-
CA 0

X FA0/-rA
0.00 63.33
0.23 31.67
0.38 28.50
0.46 33.53
0.54 47.50
0.62 64.77
0.70 87.69
0.78 107.55
0.86 126.67
0.94 142.50

160
140
120
100
FA0/-rA

80
60
40
20
0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
X

FA0X
b) VCSTR = =¿47.5 x 0.54 = 25.65 L
−r A
c) The trend of the plot is increasing, thus the area under curve is lower than the rectangular
area of which the angle at the final conversion, X = 0.86. We can see the low volume of PFR
when VCSTR and VPFR is compared as follows:-
FA0X
VCSTR = =¿ 126.67 x (0.86-0.54) = 40.53 L
−r A
0.86
dX
VPFR = F A 0 ∫ = ½ x (126.67 + 47.5) x (0.86 – 0.54) = 27.87L
0.54 −r A
5. Given an elementary gas phase
AB
Gas reaction without change of number of moles throughout the reaction will be similar to
liquid reaction, provided the pressure and temperature are constant. Thus
CA = CA0 (1 – X), where CA0 = FA0/ vO = 100/400 = 0.25 mol/ft3
k 1 √ C A 0 ( 1−X )
Then r B=−r A = where k1 = 10 (lbmol/ft3)0.5 h-1, k2 = 6 ft3/lbmol and vO = 400 ft
1+k 2 C A 0 ( 1− X )
3
/h
Table of for the Levenspiel plot

X 1/-rA FA0/-rA
0 0.50 50.00
0.
2 0.49 49.19
0.
4 0.49 49.06
0.
6 0.51 50.60
0.
8 0.58 58.14
0.
9 0.73 72.73

80.00

70.00

60.00

50.00
FA0/-rA

40.00

30.00

20.00

10.00

0.00
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 1.1
X
 For 90% conversion the volume of CSTR can be determined using numerical method of
Simpson’s rules
.

6. Given non-elementary gaseous reaction occurs in a PFR

X
dX
Thus, mole balance: V =F A 0 ∫
0 −r A
−2
Rate law: −r A =10 √CA
C A 0 (1−X ) P
Stoichiometry: C A= where  = yA0 = 0.5(3-1) = 1,
1+ εX P0
CA0 = yA0P/RT = (0.5)5/0.082/(215+273) = 0.0625 mol/L
there is no pressure drop in PFR
C A 0 (1−X )
 C A=
1+ X
X X
F A0√1+ X dX = 0.0625 ν 0 √ 1+ X dX
 Combine :V = ∫ ∫
10 √ 0.0625 0 √1− X 10 √ 0.0625 0 √ 1−X
−2 −2

0.5
 τ =25 ∫
√ 1+ X dX=16.44 s from calculator
0 √1−X

7. A + B  2C, where A: oxygen, B: nitrogen and C: nitrogen oxide

X
dX
Mole balance for batch reactor: t=N A 0∫
0 −r A V
2
C
Rate law: −r A =k 1 C A C B −
( Kc
C
)
, where Kc = 0.01 and k1 is unknown as well as k-1

Stoichiometry for gaseous reaction:

C A 0 (1−X )
C A= =C A 0 ( 1−X ) where  = yA0 = 0.15 (0) = 0, isobaric and isothermal
( 1+ εX )
77
C B=C A 0
15 (
−X )
C C =2 C A 0 X
X
dX
t=C A 0∫ 2 2
4 C A0 X
Combine: 0

[
k 1 C 2A 0 ( 1−X ) ( 77
15
−X − )Kc ]
X
1 dX
t= ∫
−k 1 C A 0 0 92
2
77 here b >4ac hence equation A-11 (in Appendix A) will be used.
( 401 X 2 + X −
15 15 )
 −b ∓ √b 2−4 ac
p , q= where a = 401, b = 92/15 and c = -77/15
2a

 p = -0.121 and q = 0.10575

1 −0.121 X +0.121
 t=
−k 1 C A 0 401 (−0.121−0.10575 )
ln . (
0.10575 X−0.10575 )
y A0 P 0.15 × 20 atm mol
C A 0= = =0.01355
RT Latm L and X = 0.8(0.02) = 0.016
0.082 × 2700 K
molK

1 −0.121 0.016+0.121
 t=
−k 1 ( 0.01355 ) 401 (−0.121−0.10575 )
ln . (
0.10575 0.016−0.10575
=151 ×10−6 s )
k1 = 464 L/mol.s

F A 0 X exit
8. a) mole balance of CSTR: V =
−r A ,exit
rate law: -rA = kCA2 where k = 2 L/mml.hr
C A 0 ( 1− X )
Stoichiometry for gaseous reaction: CA ¿ within isobaric (CSTR) and isothermal
( 1+ εX )

condition, ε = y A 0 δ =( 1 ) ( 12 −1)=−12
2 2

Combine:
V=
F A 0 X exit (1− 12 X ) = ν 0.6 (1− 0.62 ) = 1000× 0.6 ×0.7 =9.188 L
exit 0 2

k C 2A 0 ( 1− X exit ) 2 k C A 0 0.42 2 ×100 ×0.4 2

2
1
b) i) if V = 9.188 (5)
¿
(
1000 X exit 1− X exit
2 ) , hence X exit = 0.824
200 ( 1−X exit )2

ii) if the reactor is PFR with the volume is same as CSTR’s as 18.75 L

1 2 1 2
X

V =F A 0 ∫
1−
2
( 2
X

0 k C A 0 ( 1− X )
2
) ν0
dX = ❑ 2
k C A0
−1

where Equation A-7 in Appendix A was used.

2
1
1− ln ( 1−X )+
2 [(
−1 2
2
X+
1−
2
)( )
1−X
X
=9.188 L ( )
( )
]
∴ X=0.78
9. a) Liquid phase reaction has no total volume change

Species Initial Change Remaining

A CA0 -CA0X CA = CA0(1-X)
B CB0 = CA0B = CA0 -CA0X CB = CA0(1-X)
C 0 CA0X CC = CA0X

F A 0 X exit
b) mole balance of CSTR: V =
−r A ,exit
rate law: −r A =k C A C B, where k = 0.1 L mol-1 s-1
stoichiometry as in (a)
F A 0 X exit ν 0 X exit 3 ÷ 60 ×0.9
Combine: V = 2 2
= 2
= =56.25 L
kC A0 ( 1−X exit ) k C A 0 ( 1−X exit ) 0.1× 0.8 × ( 1−0.9 )2

0.9
dX ν0 X 0.9
c) mole balance of PFR: V =F A 0 ∫ 2
= × ¿0
k C (1−X ) k C A 0 1−X
2
0 A0
V 0.9
=τ = =112.5 s
ν0 0.1× 0.8 × ( 1−0.9 )
1 −3 −1
Space velocity = =8.89× 10 s
τ

F A 0 X exit 1
10. a) mole balance of CSTR: V 1=
−r A , exit
rate law: −r A =k C 2A
Stoichiometry of liquid phase reaction: C A = CA0(1-X)
F A 0 0.5 2 F A0
Combine: V 1= =
k C 2A 0 (1−0.5 ) k C2A 0
2

F A 0 X exit 2 F A0
Then V2 = 6V1 meaning =6
k C2A 0 ( 1−X exit ) 2
k C 2A 0
X exit
 2
=12
( 1−X exit )
 Xexit for a) is 0.75

b) if PFR is having V1 volume:-

X
dX FA 0 X 2 FA 0
combined mole balance of PFR, V 1=F A 0∫ 2 2
= 2
= 2 of the
0 k C ( 1−X ) k C A 0 ( 1−X ) k C A 0
A0

volume formula for original CSTR

 X
 =2
( 1−X )

 X = 0.67

c) Smaller size for the same conversion is more preferable because it is more economical. Thus
PFR is more economical.

0.9 0.9
dX dX
11. a) mole of batch reactor: t=N A 0∫ =C A 0 ∫ as V is constant
0 −r A V 0 −r A

C ECW C E CW
(
rate law: −r A =k C A C B −
K eq
−3
)
=10 C A C B−
4 ( )
stoichiometry of liquid phase reaction:
CA = CA0(1-X)
CB = CA0(1-X)
CE = CA0X
CW = CA0X
X X
dX 4 dX
t=C A 0∫ 2
= −3 ∫ 2
Combine: X 10 C A 0 0 3 X −8 X + 4
0
10−3 C 2A 0 [ ( 1−X )2−
4 ]
In quadratic a = 3, b = -8 and c = 4, thus b 2 > 4ac
2
2
Therefore, p , q=−b ∓ √ b −4 ac =
8 ∓ (−8 ) −4 ( 3 ) 4 8∓ 4
=
√
2a 2 ×3 6
p = 0.667 and q = 2
0.9
1 dX 4 1 2 X −0.667

t= −3 ∫ = −3
10 C A 0 0 3 X 2−2 X +1 10 ×1.5 3 ( 0.667−2 )
4
ln
[ 0.667
.
X−2 ( )]
C Ee CWe C 2A 0 X eq 2 X eq 2
K eq = = = =4 , therefore Xeq = 0.667
C Ae C Be C 2A 0 ( 1− X eq ) 2 ( 1− X eq ) 2
Then X = 0.9 Xeq = 0.9(0.667) = 0.6
4 1 2 0.6−0.667
∴ t=
[
10 ×1.5 3 ( 0.667−2 )
−3
ln
0.667
.
0.6−2 (
=1297.3 min )]
b) if there is no reverse reaction, the rate law will become: −r A =k C A C B
The combined mole balance of batch reactor will become:
0.6
dX X 0.6
t=C A 0 ∫ 2
2
= −3 ¿0.6
0 = −3
=1000 min
10 C ( 1− X ) 10 C A 0 (1−X ) 10 (1.5) ( 1−0.6 )
−3
0 A0
 By removing continuously the side product the reaction will be faster and the residence time
of the reactor becomes shorter. This will be more economical.
12. The reaction is irreversible, first order and gaseous, given
k = 7.8 x l09 exp(-19220/T) s-1
DR =0.15 m
P0 = 5 atm
mass flow rate = 226 kg hr-1

a) X = 0.9, and T = 737 K

X
dX 226 ×1000 1
Mole balance: V =F A 0 ∫ where FA0 = =0.43 mol /s
0 −r A 6 ( 12 )+ 4 ( 16 )+10 3600 s
Rate Law: −r A =k C A where k = 7.8 x 109 exp(-19220/T) = 0.0368/s
( 1− X ) T 0
Stoichiometry for gaseous reaction: C A=C A 0 y where y = T0/T = 1 for isobaric
(1+ εX ) T
5
and isothermal reactor. ε = y A 0 δ =1 ( 1+11 )=1, CA0 = =0.0827 mol /L
0.082× 737
Combining,
F A 0 0.9 ( 1+ X ) 2 F A0 1 2× 0.43 1
V= ∫
kC A 0 0 (1−X )
dX=
kC A 0 (
ln
1−X
−X = )
0.0368× 0.0827
ln
1−0.9(−0.9 =395.79 L )
D 2 ∴ L= 4 V = 4 ×395.79 × 0.001 =22.4 m
b) V = LA =L π ,
4 π D2 π 0.152
c) yA0 = 0.5, CA0 become half as well = 0.0414mol/L and. As the initial concentration is just a
constant in the finally-combined reactor design in (a), therefore

FA 0 1 0.43 1
V= (
kC A 0
ln
1− X
−X = )
0.0368× 0.0827
ln
1−X (
− X =395.79 L )
X = 0.977
13. elementary reversible liquid phase reaction

A B
k
k1
CSTR with 0 = 100 L/min, X = 0.75, k1 = 12.5 /min
FA0X -1

a) Mole balance of CSTR: V =

−r A
CB CB
(
Rate law: −r A =k 1 C A −
K eq)where Keq =
CA
=10

Stoichiometry: CA = CA0(1-X) and CB = CA0X

 FA 0 X ν0 X 100 ×0.75
= = =34.29 L
Combining: V = X 11 X 11 ×0.75
[
12.5C A 0 ( 1− X )−
10 ] (
12.5 1−
10 ) (
12.5 1−
10 )
b) Mole balance will be:
V=

ν 0 0.75 dX ν 0 −10 11 100 −10 8.25

∫
12.5 0
( 1−
11 X
=
12.5 11
)
[( ) (
ln 1− X =
10 12.5 11
ln 1−
10 )]
=12.68 L
[ ( )]
10
c) With 4 times of dilution for CA0, the mole will become: V =
ν 0 0.75 dX ν 1 100 1
∫ = 0 ln = ln =11.09 L
12.5 0 ( 1−X ) 12.5 1−X 12.5 0.25
14. Final Exam Q2 Sem 1 2011-2012
a)

Chem Species Initial Consumed Remaining

A CA0 -XCA0 CA0(1-X)
B CB0 -XCA0 CA0(1-X)
C - 2XCA0 2XCA0
(3 marks)
 rA  k AC ACB  k AC A2 0  1  X 
2

b)
c)
N A0 0.85 dX 0.85 dX
t
V 
0  rA
 C A0 
0 rA
1 0.85 dX
=
k AC A 0   1 X 
0 2

1  X  0.85
=
k AC A0  1  X

 0

1  0.85 
= 1 1 3  
0.004 dm mol min  5 mol.dm  0.15 
3

=283.33min (7 marks)
Any of the following answers can be accepted:-
 Because the volume of the batch reactor can directly be obtained from the concentration
of the feed/initial condition.
 Because the calculation does not need to follow the algorithm
 Because the overall change of mole of chemical species is only a function of the reaction
kinetics.
 Because the volume is only a function of CA0.
 Or equivalent.
d)
 X dX F X dX
V  FA0   A02   1 X 
0 rA k AC A 0 0 2

0  X 0.85

=
k AC A0  1  X 0 

10 dm 3min 1  0.85 
= 1 1 3  
0.004 dm mol min  5 mol.dm  0.15 
3

=2833.3 dm 3