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JOURNALS // Vestnik Udmurtskogo Universiteta. Matematika. Mekhanika. Komp'yuternye Nauki // Archive

Vestn. Udmurtsk. Univ. Mat. Mekh. Komp. Nauki, 2012 Issue 3, Pages 65–73 (Mi vuu337)

This article is cited in 3 papers

MATHEMATICS

On the construction of correct mathematical model of chemical kinetics

M. N. Nazarov

Moscow Institute of Electronic Technology, Zelenograd, Moscow, Russia

Abstract: For the purposes of this paper, the basic model of chemical kinetics, which uses only physically based equations and parameters, has been constructed. We have overcome three drawbacks of the classical models: we have removed all the technical parameters, used consistent dimensions for the equations of dynamics and made a correct description of thermodynamics. At that the main objective of the resulting model has been the automatization of complex reactions with their decomposition into elementary stages. To achieve said goals we have introduced the following simplifying positions: reaction occurring under constant-volume conditions, isolation of the reaction medium and dominance of liquid state.

Keywords: chemical kinetics, catalysis, biochemistry modelling.

UDC: 517.958+544.4

MSC: 92E20

Received: 20.04.2012

DOI: 10.20537/vm120307



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