Geodesic
On solving systems of chemical kinetics equations by explicit methods
Sibirskij žurnal industrialʹnoj matematiki, Tome 17 (2014) no. 2, pp. 74-86

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We present some versions of the methods for solving systems of differential equations of chemical kinetics that base on approximations of a quasisteady state and a partial equilibrium. These methods are explicit and guarantee the positivity and boundedness of solutions for each time step. In contrast to the existing methods, the methods we propose ensure mass conservation and the fulfillment of the stoichiometric relations, which makes it possible to significantly increase the time meshsize while preserving accuracy.
Keywords: chemical kinetics, ordinary differential equation, explicit method, quasisteady state
Mots-clés : partial equlibrium. 
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     author = {A. M. Lipanov and A. A. Bolkisev},
     title = {On solving systems of chemical kinetics equations by explicit methods},
     journal = {Sibirskij \v{z}urnal industrialʹnoj matematiki},
     pages = {74--86},
     publisher = {mathdoc},
     volume = {17},
     number = {2},
     year = {2014},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/SJIM_2014_17_2_a7/}
}
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A. M. Lipanov; A. A. Bolkisev. On solving systems of chemical kinetics equations by explicit methods. Sibirskij žurnal industrialʹnoj matematiki, Tome 17 (2014) no. 2, pp. 74-86. http://geodesic.mathdoc.fr/item/SJIM_2014_17_2_a7/