Jsun Yui Wong
The computer program listed below estimates the two parameters of the model on pages 55, 56, 285, and 286 of Englezos and Kalogerakis [2] and in the article by Gallot, Kapoor, and Kaliaguine [1]. It is similar to the computer program in the August 31 post of wongsblog-wong.blogspot.com.
0 DEFSNG A-Z
3 DEFINT I,J,K
4 DIM X(42),A(42),L(33),K(33)
75 FOR JJJJ=-32000 TO 32000
84 RANDOMIZE JJJJ
87 M=-1.7E+38
97 FOR IER=1 TO 2
98 A(IER)=RND
99 NEXT IER
126 IMAR=10+FIX(RND*32700)
128 FOR I=1 TO IMAR
129 FOR K=1 TO 2
131 X(K)=A(K)
132 NEXT K
181 J=1+FIX(RND*2)
183 R=1.5*(1-RND*2)*A(J)
185 IF R>1000 OR R<-1000 THEN 183
191 IF RND<.14 THEN X(J)=A(J)+RND^5*R ELSE IF RND<.17 THEN X(J)=A(J)+R ELSE IF RND<.2 THEN X(J)=A(J)+RND*R ELSE IF RND<.25 THEN X(J)=A(J)+RND^2*R ELSE IF RND<.33 THEN X(J)=A(J)+RND^3*R ELSE IF RND<.5 THEN X(J)=A(J)+RND^4*R ELSE X(J)=A(J)+RND^6*R
221 FOR IQA=1 TO 2
222 IF X(IQA)<0 THEN 181
223 NEXT IQA
400 X(3)=-.055+ X(1)*( 1-EXP(-X(2)*3) )
401 X(4)=-9.000001E-02+ X(1)*( 1-EXP(-X(2)*6) )
402 X(5)=-.12+ X(1)*( 1-EXP(-X(2)*13) )
403 X(6)=-.15+ X(1)*( 1-EXP(-X(2)*18) )
404 X(7)=-.165+ X(1)*( 1-EXP(-X(2)*26) )
405 X(8)=-.175+ X(1)*( 1-EXP(-X(2)*28) )
1333 P1NEWMAY=-X(4)^2 -X(5)^2 -X(6)^2 -X(7)^2 -X(8)^2 - X(3)^2
1448 P=P1NEWMAY
1451 IF P<=M THEN 1670
1657 FOR KEW=1 TO 8
1658 A(KEW)=X(KEW)
1659 NEXT KEW
1661 M=P
1666 GOTO 128
1670 NEXT I
1890 IF M>-.008218 THEN 1912 ELSE 1999
1912 PRINT A(1),A(2)
1913 REM PRINT A(4),A(5),A(6)
1914 REM PRINT A(7),A(8),A(9)
1915 PRINT M,JJJJ
1999 NEXT JJJJ
The BASIC computer program above was run with Microsoft's GW BASIC 3.11 interpreter. Its complete output through JJJJ=-31996 is presented below. What follows is a manual copy from the computer screen.
.1775962 .1055013
-2.953407E-04 -32000
.1776586 .1053942
-2.953421E-04 -31999
.1775872 .1055206
-2.95341E-04 -31998
.177636 .1054317
-2.953407E-04 -31997
.1776023 .1054964
-2.953405E-04 -31996
Interpreted in accordance with line 1912 and line 1915, the output above was produced in 13 seconds on a personal computer with an Intel 2.66 GHz. chip and the IBM basica/D interpreter.
References
[1] J. E. Gallot, M. P. Kapoor, and S. Kaliaguine, "Kinetics of 2-Hexanol and 3-Hexanol Oxidation Reaction over TS-1 Catalysts," American Institute of Chemical Engineers Journal, Vol. 44, No. 6 (June 1998), pp. 1438-1454.
[2] P. Englezos and N. Kalogerakis, Applied Parameter Estimation for Chemical Engineers, Marcel-Dekker, New York, 2001.
[3] Microsoft Corp. BASIC, 2nd Ed. (May 1982), Version 1.10. Boca Raton, Florida: IBM Corp., Personal Computer, P. O. Box 1328-C, Boca Raton, Florida 33432, 1981.
