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JOURNALS // Matematicheskoe modelirovanie // Archive

Matem. Mod., 2016 Volume 28, Number 8, Pages 46–64 (Mi mm3757)

This article is cited in 22 papers

Chemical kinetics simulation in gases

A. A. Belova, N. N. Kalitkinb, L. V. Kuzminab

a Lomonosov Moscow State University, Faculty of Physics, Moscow
b Keldysh Institute of Applied Mathematics of RAS, Moscow

Abstract: Dependencies of rate constants on temperature have been derived from the laws of quantum mechanics. Chemical reference data have been found not to satisfy these laws. A way of adjusting the data has been proposed and hydrogen combustion constants have been adjusted as an example.
A special numerical method for chemical kinetics problems has been proposed. It is an explicit algorithm that considerably excels methods known in simplicity, precision, effectiveness and reliability.

Keywords: chemical kinetics, rate constants, hydrogen combustion, numerical method.

Received: 21.10.2014
Revised: 21.12.2015


 English version:
Mathematical Models and Computer Simulations, 2017, 9:1, 24–39

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© Steklov Math. Inst. of RAS, 2024