1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
|
//Harriot P.,2003,Chemical Reactor Design (I-Edition) Marcel Dekker,Inc.,USA,pp 436.
//Chapter-3 Ex3.5 Pg No. 104
//Title: Rate Equation to fit Initial Rate data
//==========================================================================================================
clear
clc
clf()
//INPUT (Ex3.5.1)
//Initial Rate Data
B_by_A= [5 7 10 20 37];//B/A Mol Ratio
r_0=[75 65 50 33 18];//Rate (mol/hr g)
//CALCULATION (Ex3.5.1)
//Assuming Eley Rideal Mechanism for the benzene alkylation with propylene
for i=1:5
C_B(i)= (B_by_A(i)/(1+B_by_A(i)));//In terms of Mol Fraaction
C_A(i)= (1/(1+B_by_A(i)));
CA_CB(i)=C_B(i)*C_A(i);
C_by_r(i)=CA_CB(i)/r_0(i);
end
coefs=regress(C_A,C_by_r);//The equation ((C_B*C_A)/r_0)= 1/(k*K_A) + (C_A/k)
scf(0)
plot(C_A,C_by_r,'*');
xtitle('Test of Eley-Rideal model for benzene alkylation');
xlabel(' CA ,Mol Fraction');
ylabel('CA CB/r_0');
intercept=coefs(1);
slope=coefs(2);
K_A=slope/intercept;
k=1/(slope);
K_A_k=k*K_A;
//OUTPUT (Ex3.5.1)
mprintf('\n OUTPUT Ex3.5.1');
mprintf('\n=================================================')
mprintf('\nThe rate equation for Eley-Ridely Mechanism is:\n r= %0.0fC_A C_B/(1+%0.2fC_A)',K_A_k,K_A);
//=========================================================================================================
//Title:Conversion as a function of Space velocity
//==========================================================================================================
//INPUT (Ex3.5.2)
x= [0.16 0.31 0.40 0.75];
Exp_Inverse_WHSV=(10^-3)*[4 8.2 17 39];//Weight Hourly Space Velocity
Feed_ratio=10;
//CALCULATION (Ex3.5.2)
//The integrated rate equation in terms of conversion ln(1/(1-X))+0.236X= 60.4/WHSV (Page no. 106)
function [y]=integrated_rate_eqn(x0)
y=log(1 ./(1-x0))+ 0.236.*x0 - 60.4.*Exp_Inverse_WHSV
endfunction
n=length(x)
x0=0.9*ones(1,n); // Provide guess value for conversion
[x_predicted]=fsolve(x0,integrated_rate_eqn,1d-15); // Using fsolve to determine conversion from integrated rate expression for each operating WHSV
scf(1)
plot(Exp_Inverse_WHSV,x,'*',Exp_Inverse_WHSV,x_predicted,'--')
xtitle('Integral analysis','Inverse of WHSV','Conversion')
legend('Experimental','Predicted')
//OUTPUT (Ex3.5.2)
//Console Output
mprintf('\n=================================================\n');
mprintf('\n OUTPUT Ex3.5.2');
mprintf('\n Predicted and Experimental Conversion Values')
mprintf('\n=================================================')
mprintf('\n10^3/WHSV\tX_experimental\tX_predicted')
mprintf('\n=================================================')
for i=1:n
mprintf('\n %0.2f\t\t%0.2f\t\t%0.2f ',Exp_Inverse_WHSV(i)*10^3,x(i),x_predicted(i))
end
//FILE OUTPUT
fid= mopen('.\Chapter3-Ex5-Output.txt','w');
mfprintf(fid,'\n OUTPUT Ex3.5.1');
mprintf('\n=================================================')
mfprintf(fid,'\nThe rate equation for Eley-Ridely Mechanism is:\n r= %0.0fC_A C_B/(1+%0.2fC_A)',K_A_k,K_A);
mfprintf(fid,'\n=================================================\n')
mfprintf(fid,'\n OUTPUT Ex3.5.2');
mfprintf(fid,'\n Predicted and Experimental Conversion Values')
mfprintf(fid,'\n=================================================')
mfprintf(fid,'\n10^3/WHSV\tX_experimental\tX_predicted')
mfprintf(fid,'\n=================================================')
for i=1:n
mfprintf(fid,'\n %0.2f\t\t%0.2f\t\t%0.2f ',Exp_Inverse_WHSV(i)*10^3,x(i),x_predicted(i))
end
mclose(fid)
//===========================================END OF PROGRAM=================================
//Disclaimer:Regression method is used to find the slope and intercept in Ex3.5.2 .
// Hence the rate equation differ from the graphically obtained values of slope and intercept in the textbook.
|
