SCHOOL OF CHEMICAL ENGINEERING

ASSESSMENT COVER SHEET

Student Name: Quoc Anh Nguyen

Student ID: 1697736
Course (eg Materials I)
Calender No. (eg Chem Eng 1003)
Assessment Title (eg pollution today) Assignment 8
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Date Received

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Signed: Date: 21/05/2020

Question 1.

A→B
Given:

a.

E 1 1
Rate law: −r A =k C A where k T =k 0 exp ⁡
[ ( )]
−
R To T

F A0 X
Mole balance:V =
−r A
V
Stoichiometry: C A=C A 0 ( 1−X ) , F A 0=C A 0 v 0 , τ=
v0

Combine:

F A0 X F A0 X C A0 v0 X v X
V= = = =¿ V = 0 (1)
−r A k C A k C A 0 ( 1−X ) k ( 1−X )
Energy balance:

∑ C Pi ∅ i ( T −T 0 ) =¿ X (C ¿ ¿ P A + C P )(T −T 0) −∆ H Rx
X=
∆ H Rx EB = W

−∆ H Rx (
=¿ T =T 0+
C P +C P
A W
)
X¿

T =( 52+273 ) + ( 12.54 x 1000

75.24+62.7 )
X=325+ 90.9 X

80% conversion => X=0.8

T =325+90.9 x 0.8=397.7 ( K )
Rate constant at 397.7K:

E 1 1 62.7 1 1
k T =k 0 exp
[ ( )]
−
R To T
=0.0005 x exp −
[ (
8.314 298 397.7
=0.285 ( s−1 ) )]
Substitute k=0.285 s-1 to (1):

v0 X 10 x 0.8
V= = =140.5( d m3)
k ( 1− X ) 0.285(1−0.8)
The reactor volume to achieve 80% conversion is 140.5 d m3

v0 X
b. V =
k ( 1− X )
V X X kτ
= =¿ τ= =¿ X E=
v 0 k (1−X ) k ( 1− X ) kτ +1
 (C ¿ ¿ P A +C P )(T −T 0 ) (75.24+62.7)(T −325)
X EB= W
= =0.011 x (T −325)¿
−∆ H Rx 12.54 x 1000

V 300 kτ kx 30
V =300 d m 3=¿ τ= = =30 ( s )=¿ X E= =
v 0 10 kτ +1 kx 30+1

62.7 x 1000 1 1 1 1

X MB =
[
30 x 0.0005 xexp ⁡ ) ]=
8.314 ( −
298 T [ 298 T ]
0.015 xexp ⁡ 7541 ( − )

62.7 x 1000 1 1 E 1 1
30 x 0.0005 xexp
[ 8.314 298 T ]
( − ) +1 0.015 xexp (
[ R 298 T ]
− ) +1

Plot XMB and XEB as a function of temperature T:

1
0.9
0.8
0.7
Conversion X

0.6
0.5
XEB
0.4 XE
0.3
0.2
0.1
0
325 335 345 355 365 375 385 395 405 415
Temperature (K)

Figure 1.1: the correlation between XE and XEB and temperature T

The exit temperature and conversion are determined from the intersection of X MB∧ X EB ¿ ¿)

Based on figure 1.1:

The conversion can be achieved in a 300 dm3 CSTR is 0.93 and the exit temperature is 410 K

Question 2.

A → B+C
a.

Mole balance:

dX −r A
=
dW F A 0
Rate law:

−r A =k C A

Stoichiometry:

C A 0 (1−X ) T o C (1−X ) T o
C A= =¿−r A=k A 0 (1)
(1+ εX ) T (1+ X ) T
Energy balance:

∑ C Pi ∅ i ( T −T 0 ) =¿ T =T −∆ H Rx −∆ H Rx
X=
∆ H Rx 0
(
+
∑ C Pi ∅ i )
X=T 0 +
(
C PA ∅ A
X
)
∆ H Rx =¿

−∆ H Rx 83.6 x 1000
¿>T =T 0 + ( C PA ∅ A)X=450+
167.2
X =450+500 xX ( K ) (2)

The initial concentration of reactant A:

P 10 mol
C Ao= =
RT 0.082 x 450
=0.271
d m3
(3)
( )
Rate constant:

E 1 1 31.4 x 1000 1 1 1 1
k T =0.133 exp
[( −
R T2 T1 )]
=0.133 exp
8.314 [ −
450 T 1 (
=0.133 exp 3776.8 −
)]
450 T 1 [ (
( 4)
)]
Substitute (2), (3), (4) to (1):

1 1
−r A =k C A 0 ( 1−X ) =0.133 exp 3776.8
[ ( −
450 T 1 )]
x 0.271 x (1−X )

Volumetric flow rate V=20 dm3/s

Reactant flow rate:

F A 0=Vx C A 0 =20 x 0.271=5.42 ( mols )

X
F A0 1 FA 0 F
W =∫
0 −r A
dX =¿ W i=W i−1+
[( ) ( ) ] [
+ A0
2 −r A i −r A i−1
X i −X i−1 ]

Calculations of rate constant k(T),-rA and FA0/-rA for each XA are given in table below:
 X T(K) k(T) (s-1) -rA FA0/-rA W
0 450 0.133 0.036 150.376 0
0.1 500 0.308 0.061 88.225 11.9
0.2 550 0.612 0.090 59.938 19.3
0.3 600 1.084 0.119 45.680 24.6
0.4 650 1.759 0.141 38.312 28.8
0.5 700 2.665 0.155 35.028 32.5
0.6 750 3.818 0.155 34.923 36.0
0.7 800 5.230 0.141 38.523 39.7
0.8 850 6.904 0.110 49.244 44.0
0.85 875 7.839 0.089 61.186 46.8
0.9 900 8.837 0.063 85.998 50.5
0.99 945 10.792 0.007 774.447 89.2

0.8
0.7
0.6
0.5

0.4
X

0.3
0.2
0.1
0
0 5 10 15 20 25 30 35 40 45
W (g)

Figure 2.2 the correlation between conversion and catalyst weight

 850

800

750

700

650
T

600

550

500

450
0 5 10 15 20 25 30 35 40 45
W(g)

Figure 2.2 the correlation between conversion and catalyst weight

Based on figure 2.1, 44g of catalyst required to achieve 80% of conversion. Thus, 80% conversion can
be reached within the 50 kg maximum catalyst weight that can be packed into the PFR

b. In case of pressure drop in PFR:

dP α T Po
= ( 1+ X )
dW 2 T o P/ Po
Stoichiometry:

C A 0 (1−X ) T o P C (1−X ) T o P
C A= =¿−r A=k A 0
(1+ εX ) T P o (1+ X ) T P o

dX 1−X T o P
=k
dW (1+ X)v 0 T P o

dP α T Po
( 1+ X )
dW dP 2 T o P /P o α T Po (1+ X ) v 0 T P o α v 0 ( 1+ X )2 T 2
P3o P2 dP α
= =
dX dX
k
1− X T o P
=
2 T o P/P o
( 1+ X ) =
k ( 1−X ) T o P 2 k ( 1− X ) T o ( ) P 2
Po (
=¿ 3 =dX
2
dW ( 1+ X ) v 0 T Po

2 2
Pi 3 Pi−13 T i 2 α v 0 ( 1+ X i−1 ) 2

3
= 3
−
3 P o 3 Po 2
1
[( α v 0 ( 1+ X i )
2 k i ( 1− X i ) )( ) (
To
+
2 k i−1 ( 1− X i−1) )( ) ] [
T i−1
To
X i −X i−1 ]

X
F A0 1 FA 0 F
W =∫
0 −r A
dX =¿ W i=W i−1+ + A0
2 −r A i −r A [( ) ( ) ] [ i−1
X i −X i−1 ]
 900
850
800
750
700
T(K)

650
600
550
500
450
-5 5 15 25 35 45 55
W(g)

Figure 2.3 the correlation between temperature and catalyst weight

0.9

0.8

0.7

0.6

0.5
X

0.4

0.3

0.2

0.1

0
0 10 20 30 40 50 60
W(g)

Figure 2.4 the correlation between conversion and catalyst weight with pressure drop
 10

9.5

8.5
P(atm)

7.5

6.5

6
0 10 20 30 40 50 60
W(g)

Figure 2.5 the correlation between pressure and catalyst weight with pressure drop

According to figure 2.4, the catalyst weight required to achieve 80% of conversion is 52 g=> 80%
conversion is not achievable in a 50kg catalyst bed weight

Question 3.

a. Rate law:

CB
−r A =k (C ¿ ¿ A− )¿
K eq
Equilibrium:

C Be
K eq =
C Ae
Stoichiometry:

C A=C A 0 ( 1−X ) , C B= X C A 0

C Be X K eq
Thus, K eq = = =¿ X =
C Ae 1− X 1+ K eq

∆ H RX 1 1
K eq(T )=100 exp
[ (R
−
400 T )]
 ∆ H RX 1 1

X E=
K eq
=
100 exp
[ (
R
−
400 T )]
1+ K eq ∆ H RX 1 1
1+100 exp
[ (
R 400 T ]
− )

Energy balance:

X EB=
∑ C Pi ∅i ( T −T 0 )
−∆ H Rx −∆ C P ( T −T R )

∆ C P =0 , ∅ A=1 , ∅ B =0

C PA ∅ A ( T −T 0) 167.2(T −310)
X EB= = =0.003344 (T −310)
−∆ H Rx 50 x 103

T ke Xe XEB
310 7864.67 1.000 0.000
360 531.50 0.998 0.167
410 69.30 0.986 0.334
460 14.07 0.934 0.502
510 3.91 0.796 0.669
560 1.36 0.577 0.836
600 0.67 0.400 0.970

1.000
0.900
0.800
0.700
0.600
conversion

0.500
0.400
0.300
0.200
0.100
0.000
310 360 410 460 510 560
T(K)

Figure 3.1: the correlation between XE and XEB and temperature T

The exit temperature and conversion are determined from the intersection of X E ∧X EB ¿ ¿)

Based on figure 3.1:

The adiabatic equilibrium temperature is525 K and the conversion is 0.72.

 b. CSTR volume

Design equation:

XF A 0
V=
−r A
Combine rate law and stoichiometry:

CB C X (1− X e ) C X
−r A =k (C ¿ ¿ A−
K eq [
)=k C A 0 ( 1−X )− A 0
Xe ] [
= k C A 0− A 0 ¿
Xe ]
to achieve a conversion of 90% of the equilibrium conversion X=0.9 X e

The temperature when X=0.9 Xe

−∆ H RX 50 x 10 3
T =T 0+ X =310+ X=310+299.04 x 0.9 x 0.72=503.78 ( K )
C PA 167.2
Thus, at T=503.78

−50 x 10 3 1 1 −50 x 103 1 1

X =
E
100 exp [ ) ]
167.2 400 T
=
(
−[ ( ) ] =0.819
100 exp −
167.2 400 593.78
3 3
−50 x 10 1 1 −50 x 10 1 1
1+100 exp
[ 167.2 400 T ]
( − ) 1+100 exp
[ 167.2 400 503.78 )]
( −

Rate constant at T:

E 1 1 1 1
k =1 exp
[( −
R 400 T
=exp 2000)] −
400 503.78[ (
=2.8 min−1 )]
CSTR volume:

XF A 0 C A 0 v0 X v0 X 100 x 0.9 x 0.72

V= = = = =311 (d m3)
−r A CA 0 X X 0.9 x 0.72
[
k C A 0−
Xe ] [ k 1−
Xe ] 1(1−
0.819
)

The CSTR volume required to achieve a conversion of 90% of the equilibrium conversion is 311 dm 3