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JOURNALS // Numerical methods and programming // Archive

Num. Meth. Prog., 2012 Volume 13, Issue 1, Pages 28–36 (Mi vmp67)

Программирование

Parallelization technology for solving multiparameter inverse problems of chemical kinetics

I. M. Gubaydullina, Yu. B. Lindb, K. F. Koledinaa

a Bashkir State University, Faculty of Mathematics and Information Technologies
b Bashneft Company, Ufa

Abstract: A united information-analytic system (IAS) for solving inverse problems of chemical kinetics on the basis of parallel computing technology is developed. This system is implemented to construct kinetic models for industry-significant reactions of metal-complex catalysis. The following results are obtained: the dependence of the induction period of olefin hydroalumination reactions on the catalyst is quantitatively estimated and the reactivity of olefin and acetylene compounds in olefin cycloalumination reaction is evaluated; the optimal temperature and the initial reagent ratio for olefin cycloalumination reactions to ensure the maximum product yield ate determined.

Keywords: hydroalumination; cycloalumination; parallelization; information-analytic system; internal parallelism; multiparameter problems; full-scale experiment.

UDC: 519.876.5

Received: 24.02.2012



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