Geodesic
Chemical kinetics simulation in gases
Matematičeskoe modelirovanie, Tome 28 (2016) no. 8, pp. 46-64

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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, numerical method.
Mots-clés : rate constants, hydrogen combustion 
@article{MM_2016_28_8_a3,
     author = {A. A. Belov and N. N. Kalitkin and L. V. Kuzmina},
     title = {Chemical kinetics simulation in gases},
     journal = {Matemati\v{c}eskoe modelirovanie},
     pages = {46--64},
     publisher = {mathdoc},
     volume = {28},
     number = {8},
     year = {2016},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/MM_2016_28_8_a3/}
}
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A. A. Belov; N. N. Kalitkin; L. V. Kuzmina. Chemical kinetics simulation in gases. Matematičeskoe modelirovanie, Tome 28 (2016) no. 8, pp. 46-64. http://geodesic.mathdoc.fr/item/MM_2016_28_8_a3/