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Zhurnal Srednevolzhskogo Matematicheskogo Obshchestva, 2016, Volume 18, Number 3, Pages 145–152 (Mi svmo616)  

Mathematical modeling and computer science

Solution of inverse problem of chemical kinetics of synthesis reaction benzylidenebenzylamine

A. A. Mazitov, A. G. Osipova, I. V. Akhmetov, I. M. Gubaydullin

Institute of Petrochemistry and Catalysis of RAS
References:
Abstract: In the paper a new mathematical model of reaction of benzilidenbenzilamine synthesis is constructed. Basing on the model direct and inverse problems of chemical kinetics are solved. Fourth order Rosenbrock method is used for directional solution of direct problem and coordinate-wise descent method is used to solve the inverse problem. The paper presents experimental data such as reagent concentrations versus time for the initial reaction. Kinetic rate constants for individual reaction steps, obtained by chemists experimenters, are presented, too. The results of problems’ solution are listed in tabular form. Structure and objectives of the information and computer analysis system which was used to maintain the calculations are also described.
Keywords: benzylidenebenzylamine, stiff system, kinetic model, Rosenbrock method, direct and inverse problems of chemical kinetics, coordinate-wise descent method, information and computational analysis system.
Bibliographic databases:
Document Type: Article
UDC: 519.6:665.6-405
Language: Russian
Citation: A. A. Mazitov, A. G. Osipova, I. V. Akhmetov, I. M. Gubaydullin, “Solution of inverse problem of chemical kinetics of synthesis reaction benzylidenebenzylamine”, Zhurnal SVMO, 18:3 (2016), 145–152
Citation in format AMSBIB
\Bibitem{MazOsiAkh16}
\by A.~A.~Mazitov, A.~G.~Osipova, I.~V.~Akhmetov, I.~M.~Gubaydullin
\paper Solution of inverse problem of chemical kinetics of synthesis reaction benzylidenebenzylamine
\jour Zhurnal SVMO
\yr 2016
\vol 18
\issue 3
\pages 145--152
\mathnet{http://mi.mathnet.ru/svmo616}
\elib{https://elibrary.ru/item.asp?id=27398050}
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    Zhurnal Srednevolzhskogo Matematicheskogo Obshchestva
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