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Numerical methods and programming, 2012, Volume 13, Issue 1, Pages 28–36
(Mi vmp67)
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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.
Received: 24.02.2012
Citation:
I. M. Gubaydullin, Yu. B. Lind, K. F. Koledina, “Parallelization technology for solving multiparameter inverse problems of chemical kinetics”, Num. Meth. Prog., 13:1 (2012), 28–36
Linking options:
https://www.mathnet.ru/eng/vmp67 https://www.mathnet.ru/eng/vmp/v13/i1/p28
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