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This article is cited in 23 scientific papers (total in 23 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
Citation:
A. A. Belov, N. N. Kalitkin, L. V. Kuzmina, “Chemical kinetics simulation in gases”, Matem. Mod., 28:8 (2016), 46–64; Math. Models Comput. Simul., 9:1 (2017), 24–39
Linking options:
https://www.mathnet.ru/eng/mm3757 https://www.mathnet.ru/eng/mm/v28/i8/p46
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Abstract page: | 799 | Full-text PDF : | 369 | References: | 98 | First page: | 16 |
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