The numerical solution of the direct chemical kinetics promplem by the Rosenbrock's and Mishelsen's methods for the stiff systems of differential equations.
M. V. Tikhonova1, I. M. Gubaydullin2, S. I. Spivak3
| Annotation | In the work the problem of the stiff ODE system in the construction of the kinetic model of the cycloalumination reaction of olefins and acetylenes in the presence of a catalyst $Cp_2ZrCl_2$ is considered. the Rosenbrock's and Mishelsen's methods are considered for solving the direct kinetic problem. The rates of the reaction stages are obtained for further define the reactivity of substances. The error between the calculated and experimental data in the work is estimated. |
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| Keywords | mathematical modeling, chemical kinetics, direct problem, stiff system of ordinary differential equations, rate constants of elementary reactions, the Rosenbrock's method, Mishelsen's method. |
1Master of the Mathematical modelling chair, the Bashkir state university, Ufa; tinyunderline{ )daisy@mail.ru.
2Chief researcher of the Mathematical chemistry lobarotory, candidate of physical and mathematical sciences, reader, the Institute of petrochemistry and catalysis, Russian academy of sciences, Ufa; irekmars@mail.ru.
3Head of the Mathematical modelling chair, head of the Mathematical chemistry lobarotory, phd of physical and mathematical sciences, professor, the Bashkir state university, the Institute of petrochemistry and catalysis, Russian academy of sciences, Ufa; s.spivak@bashnet.ru.
Citation: M. V. Tikhonova, I. M. Gubaydullin, S. I. Spivak , "[The numerical solution of the direct chemical kinetics promplem by the Rosenbrock's and Mishelsen's methods for the stiff systems of differential equations.]", Zhurnal Srednevolzhskogo matematicheskogo obshchestva,12:2 (2010) 26–33 (In Russian)
