updated the code

1 files changed, 104 insertions, 92 deletions

diff --git a/1040/CH3/EX3.5/Ex3_5.sce b/1040/CH3/EX3.5/Ex3_5.sce
index 6e81ca290..f3a104e27 100644
--- a/1040/CH3/EX3.5/Ex3_5.sce
+++ b/1040/CH3/EX3.5/Ex3_5.sce
@@ -1,92 +1,104 @@
-//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.

-

+//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()
+function [coefs]=regress(x,y)
+coefs=[]
+  if (type(x) <> 1)|(type(y)<>1) then error(msprintf(gettext("%s: Wrong type for input arguments: Numerical expected.\n"),"regress")), end
+  lx=length(x)
+  if lx<>length(y) then error(msprintf(gettext("%s: Wrong size for both input arguments: same size expected.\n"),"regress")), end
+  if lx==0 then error(msprintf(gettext("%s: Wrong size for input argument #%d: Must be > %d.\n"),"regress", 1, 0)), end
+  x=matrix(x,lx,1)
+  y=matrix(y,lx,1)
+  xbar=sum(x)/lx
+  ybar=sum(y)/lx
+  coefs(2)=sum((x-xbar).*(y-ybar))/sum((x-xbar).^2)
+  coefs(1)=ybar-coefs(2)*xbar
+endfunction
+//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.
\ No newline at end of file