Determination of quantitative structure-octane rating relationships of hydrocarbons by genetic algorithms

Chemometrics and Intelligent Laboratory Systems

Volumn 46, Issue 1, 1999, Pages 67-78

  Meusinger, Reinhard ^a   Moros, Ralf ^a  

^a UNIVERSITY OF LEIPZIG   (Germany)

Author keywords

Genetic algorithm; Hydrocarbon; Octane

Indexed keywords

ALKENE; AROMATIC HYDROCARBON; GASOLINE; HYDROCARBON; NAPHTHYL GROUP; OCTANE; ORGANIC COMPOUND; PARAFFIN;

ALGORITHM; ARTICLE; ARTIFICIAL NEURAL NETWORK; CALCULATION; CHEMICAL STRUCTURE; CORRELATION FUNCTION; PRIORITY JOURNAL;

EID: 0033557283     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0169-7439(98)00148-8     Document Type: Article

References (32)

1. Hamilton B. Analysis Europa. 2:1995;45.
2. U.S. Public Law 101-549, Clean Air Act Amendments, November 15, 1990.
3. R.B. Tossici, 13. World Petroleum Congress, Topic 15, Buenos Aires, 1991.
4. Scherzer J. Catal. Rev. Sci. Eng. 31:1989;215.
5. American Society for Testing and Materials, ASTM Test Method D2699-88a: Knock Characteristics of Motor Fuels by the Research Method, 1989.
6. American Society for Testing and Materials, ASTM Test Method D2700-88a: Knock Characteristics of Motor Fuels by the Motor Method, 1989.
7. Andrade J.M., Muniategui S., López P., Prada D. Analyst. 120:1995;249.
8. Lovell W.G., Campbell J.M., Boyd T.A. Ind. Eng. Chem. 23:1931;555.
9. American Society for Testing and Materials (ASTM), Special Technical Publication No. 225: Knocking Characteristics of Pure Hydrocarbons, 1958.
10. W. Degen, Berechnung der Oktanzahlen von Alkanen mit Hilfe Toplogischer Indizes, in: G. Gauglitz (Ed.), Software-Entwicklung in der Chemie, Vol. 3, Springer-Verlag, Berlin, Heidelberg, 1989, pp. 305-312.
11. Xu L., Wang H.W., Su Q. Comput. Chem. 16:1992;187.
12. Balaban A.T., Kier L.B., Joshi N. MATCD. 28:1992;13.
13. Pogliani L. J. Phys. Chem. 99:1995;925.
14. Blurock E.S. Comput. Chem. 19:1995;91.
15. Meusinger R., Schindlbauer H. Erdöl, Erdgas, Kohle. 108:1992;20.
16. R. Moros, R. Meusinger, Oktanzahlberechnung von Kohlenwasserstoffen - Die Anwendung eines nichtbinären Genetischen Algorithmus in der quantitativen Struktur-Reaktivitätsbeziehung, in: R. Moll (Ed.), Software-Entwicklung in der Chemie, Vol. 9, Gesellschaft Deutscher Chemiker, Frankfurt, 1995, pp. 205-211.
17. R. Meusinger, R. Moros, Application of genetic algorithms and neural networks in analysis of multicomponent mixtures by NMR-spectroscopy, in: J. Gasteiger (Ed.), Software-Development in Chemistry, Vol. 10, Gesellschaft Deutscher Chemiker, Frankfurt, 1996, pp. 209-216.
18. J.H. Holland, Adaption in Natural and Artificial Systems, University of Michigan Press, Ann Arbor, MI, 1975.
19. Lucasius C.B., Kateman G. Trends in Anal. Chem. 10:1991;254.
20. Lucasius C.B., Beckers M.L.M., Kateman G. Anal. Chim. Acta. 286:1994;135.
21. Moros R., Kalies H., Rex H.G., Schaffarczyk S. Comput. Chem. Eng. 20:1996;1257.
22. Beckers M.L.M., Derks E.P.P.A., Melssen W.J., Buydens L.M.C. Comput. Chem. 20:1996;449.
23. Ugi I.K., Heilingbrunner M.J., Gruber B. Chimia. 51:1997;39.
24. Shaffer R.E., Small G.W., Arnold M.A. Anal. Chem. 68:1996;2663.
25. Wagener M., Gasteiger J. Angew. Chem. 106:1994;1245.
26. Hopfinger A.J., Wang S., Tokarski J.S., Jin B.Q., Albuquerque M., Madhav P.J., Duraiswami C. J. Am. Chem. Soc. 119:1997;10509.
27. F. Spausta, Treibstoffe für Verbrennungsmotoren, Springer-Verlag, Wien, 1953.
28. M. Marder, Motorkraftstoffe, Vol. 1, Springer-Verlag, Berlin, 1942.
29. Spindelbalker C., Schmidt A. Erdöl, Erdgas, Kohle. 108:1992;20.
30. Y. Danon, WinNN 0.97, 1995.
31. Meusinger R. Fuel. 75:1996;1235.
32. R. Meusinger, B. Hoffmann, in preparation.