UNIVERSITY OF BAHRAIN

Chemical Engineering Department

Chemical Reactor Design: CHENG-323

Homework- #7

4-7 4-23 4-25 4-26

Prepared By:-
Faisal Mumtaz: 20101361
Ashwin Murali: 20105451
Date of Submission: 12/05/2013
Submitted to: Dr. Shaker Haji
4.25] POLYMATH code:
d(FA)/d(V) = rA - RA
FA(0) = 100
d(FB)/d(V) = rB - RB
FB(0) = 0
d(FC)/d(V) = rC
FC(0) = 0
rA = -k * (CA - ((CB * (CC ^ 2)) / KC))
rB = -rA
rC = -2 * rA
CA = CT0 * (FA / FT)
CB = CT0 * (FB / FT)
CC = CT0 * (FC / FT)
FT = FA + FB + FC
CA0 = FA0 / v0
CT0 = CA0
FA0 = 100
v0 = 100
RA = kCA * CA
RB = kCB * CB
kCA = 1
kCB = 40
k = 10
KC = 0.01
xA = (FA0 - FA) / FA0
V(0) = 0
V(f) = 20

POLYMATH Report No Title

Ordinary Differential Equations 10-May-2013
Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 CA 1. 0.472568 1. 0.472568
2 CA0 1. 1. 1. 1.
3 CB 0 0 0.0748891 0.0159912
4 CC 0 0 0.5114408 0.5114408
5 CT0 1. 1. 1. 1.
6 FA 100. 57.21002 100. 57.21002
7 FA0 100. 100. 100. 100.
8 FB 0 0 9.059988 1.935926
9 FC 0 0 61.91604 61.91604
10 FT 100. 100. 122.2434 121.062
11 k 10. 10. 10. 10.
12 KC 0.01 0.01 0.01 0.01
13 kCA 1. 1. 1. 1.
14 kCB 40. 40. 40. 40.
15 rA -10. -10. -0.542836 -0.542836
16 RA 1. 0.472568 1. 0.472568
17 RB 0 0 2.995565 0.6396478
18 rB 10. 0.542836 10. 0.542836
19 rC 20. 1.085672 20. 1.085672
20 V 0 0 20. 20.
21 v0 100. 100. 100. 100.
22 xA 0 0 0.4278998 0.4278998

Differential equations
1 d(FA)/d(V) = rA - RA
2 d(FB)/d(V) = rB - RB
3 d(FC)/d(V) = rC

Explicit equations
1 KC = 0.01
2 v0 = 100
3 k = 10
4 FA0 = 100
5 CA0 = FA0 / v0
6 CT0 = CA0
7 FT = FA + FB + FC
8 CC = CT0 * (FC / FT)
9 CA = CT0 * (FA / FT)
10 CB = CT0 * (FB / FT)
11 rA = -k * (CA - ((CB * (CC ^ 2)) / KC))
12 kCA = 1
13 kCB = 40
14 RA = kCA * CA
15 RB = kCB * CB
16 rB = -rA
17 rC = -2 * rA
18 xA = (FA0 - FA) / FA0
a.) Plot of flow rates (FA, FB & FC) versus reactor volume (V)

Plot of flow rates (RA & RB) versus reactor volume (V)
 b.) POLYMATH code:

d(x)/d(V) = -rA / FA0

x(0) = 0
rA = -k * (CA - ((CB * (CC ^ 2)) / KC))
CA = CA0 * (1 - x)
CB = CA0 * x
CC = CA0 * 2 * x
CA0 = FA0 / v0
FA0 = 100
v0 = 100
k = 10
KC = 0.01
V(0) = 0
V(f) = 20

POLYMATH Report No Title

Ordinary Differential Equations 10-May-2013
Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 CA 1. 0.8704148 1. 0.8704148
2 CA0 1. 1. 1. 1.
3 CB 0 0 0.1295852 0.1295852
4 CC 0 0 0.2591704 0.2591704
5 FA0 100. 100. 100. 100.
6 k 10. 10. 10. 10.
7 KC 0.01 0.01 0.01 0.01
8 rA -10. -10. -6.661E-15 -6.661E-15
9 V 0 0 20. 20.
10 v0 100. 100. 100. 100.
11 x 0 0 0.1295852 0.1295852

Differential equations
1 d(x)/d(V) = -rA / FA0

Explicit equations
1 KC = 0.01
2 FA0 = 100
3 v0 = 100
4 CA0 = FA0 / v0
5 CA = CA0 * (1 - x)
6 CB = CA0 * x
7 CC = CA0 * 2 * x
8 k = 10
9 rA = -k * (CA - ((CB * (CC ^ 2)) / KC))

Plot of conversion profiles for a conversional PFR and IMRCF

For IMRCF:

For PFR:
For imrcf, no products are diffused out of the membrane, so total conversion
remains low, the membrane does not participate in the reaction directly; it
simply acts as a barrier to the reactants and some products. Where as the pfr
achieves higher conversion

c.) POLYMATH code:

d(FA)/d(V) = rA - RA
FA(0) = 100
d(FB)/d(V) = rB
FB(0) = 0
d(FC)/d(V) = rC - RC
FC(0) = 0
rA = -k * (CA - ((CB * (CC ^ 2)) / KC))
rB = -rA
rC = -2 * rA
CA = CT0 * (FA / FT)
CB = CT0 * (FB / FT)
CC = CT0 * (FC / FT)
FT = FA + FB + FC
CA0 = FA0 / v0
CT0 = CA0
FA0 = 100
v0 = 100
RA = kCA * CA
RC = kCC * CC
kCA = 1
kCC = 80
k = 10
KC = 0.01
xA = (FA0 - FA) / FA0
V(0) = 0
V(f) = 20

POLYMATH Report No Title

Ordinary Differential Equations 11-May-2013
Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 CA 1. 0.277214 1. 0.277214
2 CA0 1. 1. 1. 1.
3 CB 0 0 0.6806778 0.6806778
4 CC 0 0 0.1285737 0.0421082
5 CT0 1. 1. 1. 1.
6 FA 100. 25.93235 100. 25.93235
7 FA0 100. 100. 100. 100.
8 FB 0 0 63.6749 63.6749
9 FC 0 0 14.50282 3.939066
10 FT 100. 93.54632 112.8633 93.54632
11 k 10. 10. 10. 10.
12 KC 0.01 0.01 0.01 0.01
13 kCA 1. 1. 1. 1.
14 kCC 80. 80. 80. 80.
15 rA -10. -10. -1.565231 -1.565231
16 RA 1. 0.277214 1. 0.277214
17 rB 10. 1.565231 10. 1.565231
18 RC 0 0 10.28589 3.368655
19 rC 20. 3.130462 20. 3.130462
20 V 0 0 20. 20.
21 v0 100. 100. 100. 100.
22 xA 0 0 0.7406765 0.7406765

Differential equations
1 d(FA)/d(V) = rA - RA
2 d(FB)/d(V) = rB
3 d(FC)/d(V) = rC - RC

Explicit equations
1 KC = 0.01
2 v0 = 100
3 k = 10
4 FA0 = 100
5 CA0 = FA0 / v0
6 CT0 = CA0
7 FT = FA + FB + FC
8 CC = CT0 * (FC / FT)
9 CA = CT0 * (FA / FT)
10 CB = CT0 * (FB / FT)
11 rA = -k * (CA - ((CB * (CC ^ 2)) / KC))
12 kCA = 1
13 kCC = 40
14 RA = kCA * CA
15 RC = kCC * CC
16 rB = -rA
17 rC = -2 * rA
18 xA = (FA0 - FA) / FA0

The conversion achieved by diffusing C (X=0.74) would be higher than diffusing

B(X=0.43). As RC (diffusion rate ) will be higher for product C as KCC will be
higher (From equation given, kca/-1=kcb/1=kcc/2) SO, KCC will be 2*KCB = 80,
so we will get conversion around 0.74.

d.) For exothermic reactions, at very high temperature, Conc. equilibrium

constant KC decreases and hence reaction proceeds in the backward
direction giving less conversion. At very low temperatures, KC will be high
but reaction rate constant k will be small, so less conversion would be
achieved. So in b/w the optimum temp exists.
For endothermic reaction, as temp increases, KC increases, so reaction
shifts in forward direction, also rate constant k increase....so overall
conversion increases. At low temperatures, KC and k would be small, so
we would get very small conversion

4.26] Determine the PFR volume to achieve 85% of equilibrium conversion of CO

POLYMATH code:

d(x)/d(V) = -rA / FA0

x(0) = 0
FA0 = CA0 * v0
rA = -k * (CA * CB - ((CC * CD) / Ke))
CA = CA0 * (1 - x)
CB = CA0 * (1 - x)
CC = CA0 * x
CD = CA0 * x
v0 = 10
k = 1.37
Ke = 1.44
CA0 = 0.2
V(0) = 0
V(f) = 1000

POLYMATH Report
Ordinary Differential Equations 10-May-2013
Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 CA 0.2 0.0909091 0.2 0.0909091
2 CA0 0.2 0.2 0.2 0.2
3 CB 0.2 0.0909091 0.2 0.0909091
4 CC 0 0 0.1090909 0.1090909
5 CD 0 0 0.1090909 0.1090909
6 FA0 2. 2. 2. 2.
7 k 1.37 1.37 1.37 1.37
8 Ke 1.44 1.44 1.44 1.44
9 rA -0.0548 -0.0548 -1.188E-17 -1.188E-17
10 V 0 0 1000. 1000.
11 v0 10. 10. 10. 10.
12 x 0 0 0.5454545 0.5454545

Differential equations
1 d(x)/d(V) = -rA / FA0

Explicit equations
1 v0 = 10
2 CA0 = 0.2
3 CD = CA0 * x
4 CA = CA0 * (1 - x)
5 CB = CA0 * (1 - x)
6 CC = CA0 * x
7 FA0 = CA0 * v0
8 k = 1.37
9 Ke = 1.44
10 rA = -k * (CA * CB - ((CC * CD) / Ke))
Finally, by using the table we found that the volume of PFR is 40.45 dm3at x =
0.464.

Determine the membrane reactor volume to achieve 85% conversion of CO

POLYMATH code:
d(FA)/d(V) = rA
FA(0) = 2
d(FB)/d(V) = rB
FB(0) = 2
d(FC)/d(V) = rC
FC(0) = 0
d(FD)/d(V) = rD - RD
FD(0) = 0
rA = -k * (CA * CB - ((CC * CD) / Ke))
xA = (FA0 - FA) / FA0
rB = rA
rC = -rA
rD = rC
CA = CT0 * (FA / FT)
CB = CT0 * (FB / FT)
CC = CT0 * (FC / FT)
CD = CT0 * (FD / FT)
FT = FA + FB + FC + FD
CT0 = 0.4
v0 = 10
RD = kD * CD
kD = 0.1
k = 1.37
Ke = 1.44
CA0 = 0.2
FA0 = CA0 * v0
V(0) = 0
V(f) = 430
POLYMATH Report No Title
Ordinary Differential Equations 11-May-2013

Calculated values of DEQ variables

Variable Initial value Minimal value Maximal value Final value
1 CA 0.2 0.0507904 0.2 0.0507904
2 CA0 0.2 0.2 0.2 0.2
3 CB 0.2 0.0507904 0.2 0.0507904
4 CC 0 0 0.2881293 0.2881293
5 CD 0 0 0.0796987 0.0102899
6 CT0 0.4 0.4 0.4 0.4
7 FA 2. 0.2997194 2. 0.2997194
8 FA0 2. 2. 2. 2.
9 FB 2. 0.2997194 2. 0.2997194
10 FC 0 0 1.700281 1.700281
11 FD 0 0 0.7419883 0.0607215
12 FT 4. 2.360441 4. 2.360441
13 k 1.37 1.37 1.37 1.37
14 kD 0.1 0.1 0.1 0.1
15 Ke 1.44 1.44 1.44 1.44
16 rA -0.0548 -0.0548 -0.0007135 -0.0007135
17 rB -0.0548 -0.0548 -0.0007135 -0.0007135
18 rC 0.0548 0.0007135 0.0548 0.0007135
19 rD 0.0548 0.0007135 0.0548 0.0007135
20 RD 0 0 0.0079699 0.001029
21 V 0 0 430. 430.
22 v0 10. 10. 10. 10.
23 xA 0 0 0.8501403 0.8501403
Differential equations
1 d(FA)/d(V) = rA
2 d(FB)/d(V) = rB
3 d(FC)/d(V) = rC
4 d(FD)/d(V) = rD - RD

Explicit equations
1 Ke = 1.44
2 CA0 = 0.2
3 FT = FA + FB + FC + FD
4 k = 1.37
5 CT0 = 0.4
6 CC = CT0 * (FC / FT)
7 CD = CT0 * (FD / FT)
8 CA = CT0 * (FA / FT)
9 CB = CT0 * (FB / FT)
10 rA = -k * (CA * CB - ((CC * CD) / Ke))
11 rB = rA
12 v0 = 10
13 kD = 0.1
14 RD = kD * CD
15 rC = -rA
16 rD = rC
17 FA0 = CA0 * v0
18 xA = (FA0 - FA) / FA0

Finally, by using the table we found that the volume of membrane reactor is
38.47 dm3at x = 0.464. Also, by using membrane reactor we can reach x = 0.85
and the volume require to achieve it is 432.63 dm3. So, by doubling the feed
rate in membrane reactor FA0=FB0= 4 instead of 2 before, so u end up with
0.458 as conversion after changing FA0 and FB0 values in polymath.
Plot of flow rates (FA, FB, FC and FD) versus membrane reactor volume (V)

Plot of Concentrations (CA, CB, CC and CD) versus membrane reactor volume
(V)