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Calculation Basis:
5.5
REFFERENCES .................................................................................................................... 32
APPENDICES ....................................................................................................................... 33
2
1.0 Mass Balance
1.1 Calculate an overall mass balance.
A + B C + D
Ao = 121.3803 CSTR
A = 36.4159
Bo = 275.4993 B = 236.9302
C = 79.1058
D = 44.4238
396.8796 = 396.8757
3
1.2 Start with balanced stoichiometric equation.
SPECIES SYMBOL
INITIAL ( ) REMAINING ( )
CHCOOCH A FAo = 1.3776 FA = 0.4133
NaOH B FBo = 6.888 FB = 5.9237
CHCOONa C - FC = 0.9643
CHOH D - FD = 0.9643
Total FTo = 8.2656 FT = 8.2656
Table 1.0 : Stoichiometric table
1.3 Present your calculations in a MASS BALANCE TABLE with the IN and
OUT numbers as shown below. The units must be presented in quantities of
g/s.
CCOONa - C = FC x mw(CHCOONa)
= 0.9643 x 82.0344
= 79.1058
CHOH - D = FD x mw(CHOH)
= 0.9643 x 46.06844
= 44.4238
Total To= Ao + Bo T = A + B + C + D
= 121.3803 + 275.4993 = 36.4159+ 236.9302+
= 396.8796 79.1058 + 44.4238
= 396.8757
4
1.4 Based on the given production rate, determine the change of each species mass
flow rate if the production rate is increased from 0 to 100%. Plot a Figure that
charted the changes for each species mass flow rate versus production rate
increment (0, 20, 40, 60, 80, and 100%).
Table 3.0 : Mass balance table with the changes of each species mass flow rate.
Production
Rate Ao Bo A B C D To T
Increment (g/s) (g/s) (g/s) (g/s) (g/s) (g/s) (g/s) (g/s)
(%)
0 121.3821 275.5033 36.41463 236.933 79.10814 44.42514 396.8854 396.8809
600
500
MASS FLOW RATE G/S
400
300
200
100
0
0 20 40 60 80 100 120
PRODUCTION RATE INCREMENT %
Ao Bo A B C D
Figure 1.0 : The changes for each species mass flow rate versus production rate increment.
5
2.0 STOCHIOMETRIC TABLE
2.1 Develop a general stoichiometric table for the reaction system using only symbols
to represent the variables. [1]
A + B C + D
NaOH B FB0 =
- FA0X FB = FA0.B - FA0X
FA0.B
CH3COONa C FC0 = + FA0X FC = FA0.C + FA0X
FA0.C
C2H5OH D FD0 =
+ FA0X FD = FA0.D + FA0X
FA0.D
FT0 = FA0 + FT = FA+ FB+ FC+ FD
FA0.B +
FA0.C +
FA0.D
6
2.2 Subsequently develop another stoichiometric table and substitute in the real
NUMBERS based on own calculations using the basis given in the assigned task . [1]
453.59237 1 1 1
= 5.5 Million x x 365 x 24 x 3600
1
= 79.108 g/s
= 0.9643
Fc = Fc0 + 0 X
0 =
0.9643
=
0.7
= 1.3776
7
EtAc initial conc. , CB0: 0.1 M
8
2.3 Based on the given production rate, determine the change of each species mass
flowrate/mass if one of the raw material capacity is increased from 0 to 100%.
Develop the stoichiometric tables for each scenario (0, 20, 40, 60, 80, and 100%).1
Fc = Fc0 + 0 X NaOH initial conc., CA0 : 0.5 M
0 = = 1.3776
CB0 0.5 M
B = CA0 = 0.1 M : B = 5 Temperature : 340 K NaOH conversion X :70%
=(1.3776)(5)
1 = 6.888 - 0.96432
= 6.888 - 1 (1.3776)(0.7)
= 5.92368
= - 0.96432
CH3COONa C FC0 = FA0.C + FA0X FC = FA0.C + FA0X
=0 1 = 0 + 0.96432
+ 1 (1.3776)(0.7)
= 0.96432
= + 0.96432
9
For 20% INCREASE MASS FLOWRATE:
Find new FA0 FA0 = (1) = 1.6526 mol/s
=(1.6526)(5) 1
- 1 (1.6526)(0.7) = 8.263- 1.15682
= 8.263
= 7.1061
= - 1.15682
CH3COONa C FC0 = FA0.C + FA0X FC = FA0.C + FA0X
=0 1 = 0 + 1.15682
+ 1 (1.6526)(0.7)
= 1.15682
= + 1.15682
=0 1
+ 1(1.6526)(0.7) = 0 + 1.15682
= 1.15682
= + 1.15682
10
For 40% INCREASE MASS FLOWRATE:
MA = FA molar mass of A
= 0.41328 88.11
= 36.4141 g/s
1
= 50.9797 88.11 = 0.5785 mol/s
Find new FA0 FA0 = (1) = 1.9283 mol/s
11
For 60% INCREASE MASS FLOWRATE:
MA = FA molar mass of A
= 0.41328 88.11
= 36.4141 g/s
1
= 58.2625 88.11 = 0.6612 mol/s
Find new FA0 FA0 = (1) = 2.204 mol/s
12
For 80% INCREASE MASS FLOWRATE:
MA = FA molar mass of A
= 0.41328 88.11
= 36.4141 g/s
1
= 65.54 88.11 = 0.7438 mol/s
Find new FA0 FA0 = (1) = 2.479 mol/s
MA = FA molar mass of A
= 0.41328 88.11
= 36.4141 g/s
1
= 72.8282 88.11 = 0.8265 mol/s
Find new FA0 FA0 = (1) = 2.755 mol/s
14
Determine the change of each species mass flowrate if one of the raw material capacity
increase.
RAW material A
Increment (%) A B C D
15
3.0 REACTION KINETIC
3.1 Chemical equation:
ln k2 = 5.351557879
k2 = 0.21694 x 103
.
Initial concentration
CAO = 0.1 M (from assigned task)
CBO = 0.5 M (from assigned task)
CAO
B =
C BO
0.5
= 0.1
=5
3
Ikhazuangbe, Prosper Monday ohien and Oni, Aisosa Babalola Reaction rate and rate constant of the
hydrolysis of ethyl acetate with sodium hydroxide, Madonna University Enugu, Nigeria p 2.
4
Martin A. Javinsky and Robert H. Kaldec Optimal control of a continuous flow stirred tank chemical
reactor ,1970 p 921 .
16
Conversion, X = 70% = 0.70
CA = = (1-X) = CAO (1-X)
CA = CAO (1-X)
CA = 0.1 (1-0.70)
= 0.03
CB = = (B - x)
CB = CAO (B - x)
CB = 0.1(5-1(0.70))
CB = 0.43
-rA= kCACB
-rA = (0.21094 x 103 .)( 0.03 )(0.43 )
-rA= 2.721126 .
17
3.3 Changing of temperature (Increase and decrease 10C)
ln k2 = 5.82186
k2 = 337.599
.
-rA= kCACB
-rA= (337.599 ) ( 0.06 )(0.86 )
.
-rA = 17.420 .
ln k2 = 4.8528
k2 = 128.097
.
-rA= kCACB
-rA= (128.097 .) ( 0.03 )(0.43 )
-rA = 1.6525 .
Based on the calculation above, it shows that as the temperature increase the reaction rate will
increase and vice versa.
18
3.4 Changing of Pressure (Increase and decrease 2 MPa)
In this process saponification which is the reaction between sodium hydroxide and
ethyl acetate producing ester and alcohol. The pressure is negligible and the pressure
drop does not affect liquid phase reaction.5
CA = CAO (1-X)
CA = (0.1) (1-0.9)
CA = 0.01
CB = CAO (B - x)
CB = (0.1)(5-0.9)
CB = 0.41
-rA= kCACB
-rA = (0.21094 x 103 (.) ( 0.01 )(0.41 )
-rA = 0.8649 .
5
http://www.umich.edu/~elements/fogler&gurmen/html/course/lectures/four/index.htm [ Accessed on
18/05/2017]
19
3.5.2 Decrease 20%
CA = CAO (1-X)
CA = (0.1) (1-0.5)
CA = 0.05
CB = CAO (B - x)
CB = (0.1)(5-0.5)
CB = 0.45
-rA= kCACB
-rA = (0.21094 x 103 (.) ( 0.05 )(0.45 )
-rA = 4.74615 .
Based on the calculation, its shows that as the conversion increase, the reaction rate will
decrease and vice versa.
20
4.0 REACTOR DESIGN AND SIZING
3 2 5 + 3 + 2 5
+ +
= 0.03
*Obtained from student 2
= 0.43
K = 210.94 .
= (210.94 ) (0.03 ) (0.43 )
.
= 2.721126
.
= = 2.721126 .
60
= 1.3776 = 82.656 (Obtained from student 2)
1
(82.656 )(0.7)
min
= =
2.721126
.
= 21.2629
21
4.1 Volume of reactor when the pressure is changed
There will be no effect and changes as there is no pressure involve in liquid state
reactant and is assumed negligible.6
22
4.2 Volume of reactor when the temperature is changed
1 1
ln 2 = ln 1 + ( )
1 2
11120 1 1
ln 2 = ln 210.94 + ( )
. 1.987 340 350
.
2 = 337.599
.
= 0.03 *Obtained from student 2
= 0.43
= (337.599 ) (0.03 ) (0.43 )
.
= 4.3550
.
(82.656 min ) (0.7)
= =
4.3550 .
= 13.2857
23
From the calculation (c. i) it shows that when temperature is added by 10C, the volume
required for the CSTR will decrease from 21.2629 to 13.2857 .
1 1
ln 2 = ln 1 + ( )
1 2
Based from the formula above, it shows the temperature will effect the value of K and rate of
reaction, as the temperature decrease, the value of K will also decrease. Thus, this cause the
value of rate of reaction to decrease too. As the relation of volume is indirectly proportional
towards rate of reactions, the lesser the rate of reaction, the more the volume of reactor will
be needed.
24
4.2.2 Temperature decrease by 10C ( at T = 330K )
1 1
ln 2 = ln 1 + ( )
1 2
11120 1 1
ln 2 = ln 210.94 + ( )
. 1.987 340 330
.
2 = 128.097
.
= 0.03 *Obtained from student 2
= 0.43
= (128.097 ) (0.03 ) (0.43 )
.
= 1.6524
.
(82.656 min ) (0.7)
= =
1.6524 .
= 35.01
25
From the calculation (c. ii) it shows that when temperature is reduced by 10C, the volume
required for the CSTR will decrease from 21.2629 to 35.01 .
1 1
ln 2 = ln 1 + ( )
1 2
Based from the formula above, it shows the temperature will effect the value of K and rate of
reaction, as the temperature increase, the value of K will also increase. Thus, this cause the
value of rate of reaction to increase too. As the relation of volume is inversely proportional
towards rate of reactions, the higher the rate of reaction, the lesser the volume of reactor will
be needed.
26
4.3 Volume of reactor when the conversion is changed
= (1 )
= (0.1)(1 0.9)
= 0.01
= ( )
= (0.1)( 5 0.9)
= 0.41
= (210.94 ) (0.01 ) (0.41 )
.
= 0.8649
.
(82.656 min ) (0.7)
= =
0.8649 .
= 86.01
27
From the calculation (4.3.1) it shows that when conversion is increased by 20%, the volume
required for the CSTR will increase from 21.2629 to 86.01 .
Based from the formula above, it shows that the relation of conversion,X is directly
proportional to volume,V which proves that the higher the value of conversion, the more the
volume of reactor7.
7http://sites.tufts.edu/andrewrosen/files/2013/09/reactor_design_guide1.pdf (accessed on
16th May 2017)
28
4.3.2 Conversion decrease by 20% ( X = 0.5 )
= (1 )
= (0.1)(1 0.5)
= 0.05
= ( )
= (0.1)( 5 0.5)
= 0.45
= (210.94 ) (0.05 ) (0.45 )
.
= 4.74615
.
(82.656 min ) (0.5)
= =
4.74615 .
= 8.7077
29
From the calculation (4.3.1) it shows that when conversion is reduced by 20%, the volume
required for the CSTR will decreases from 21.2629 to 8.7077 .
Based from the formula above, it shows that the relation of conversion,X is directly
proportional to volume,V which proves that the lesser the value of conversion, the lesser the
volume of reactor.
30
4.4 Diagram of assigned reactor
3 2 5 + 3 + 2 5
+ +
Where ;
= 0.03
= 0.43
K = 210.94 .
31
= 1.3776
= 0.1
= 6.888
= 0.5
= 21.2629 L
= 0.4133
= 5.2937
= 0.9643
= 8.2656
32
REFFERENCE
3. Ikhazuangbe, Prosper Monday ohien and Oni, Aisosa Babalola Reaction rate and rate
constant of the hydrolysis of ethyl acetate with sodium hydroxide, Madonna
University Enugu, Nigeria p 2.
4.
5. Martin A. Javinsky and Robert H. Kaldec Optimal control of a continuous flow
stirred tank chemical reactor ,1970 p 921 .
7. http://sites.tufts.edu/andrewrosen/files/2013/09/reactor_design_guide1.pdf
(accessed on 16th May 2017)
33
APPENDICES
SUDENT 1
= 79.1084
C = 79.1084
Fc = FAOX
0.9643
FAO = = = 1.3776
0.7
B =
=
0.5
0.1
= 5
FB = FBo - FAOX = 6.888 - 0.9643 = 5.9237
FD = FAOX = 0.9643
34
To find the changes of mass flow rate at the varies of production rate by using excel.
35
STUDENT 1
36
STUDENT 2
Example : for 20% increasement of mass flowrate of raw material (ethyl acetate)
20
=( 36.4141 ) + 36.4141
100
= 43.696 g/s
increment initial mass mass flowrate value after increment of
percentage % flowrate (g/s) increment mass flowrate (g/s)
0% 36.4141 0 36.4141
Example :
453.59237 1 1 1
= 5.5 Million x x 365 x 24 x 3600
1
= 79.108 g/s
37
3. How to find initial molar flowrate
1
= 43.69 88.11 = 0.4958 mol/s
= 1.6526 mol/s
MA = FA molar mass of A
= 0.41328 88.11
= 36.4141 g/s
38
STUDENT 2
39
STUDENT 3
40
STUDENT 4
41