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Russia Zelenograd
Section Mathematics
Title On the construction of correct mathematical model of chemical kinetics
Author(-s) Nazarov M.N.a
Affiliations National Research University of Electronic Technologya
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
DOI 10.20537/vm120307
Received 20 April 2012
Language Russian
Citation Nazarov M.N. On the construction of correct mathematical model of chemical kinetics, Vestnik Udmurtskogo Universiteta. Matematika. Mekhanika. Komp'yuternye Nauki, 2012, issue 3, pp. 65-73.
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