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Section
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Mathematics
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Title
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On the construction of correct mathematical model of chemical kinetics
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Author(-s)
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Nazarov M.N.a
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Affiliations
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National Research University of Electronic Technologya
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Abstract
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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.
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Keywords
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chemical kinetics, catalysis, biochemistry modelling
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UDC
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517.958, 544.4
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MSC
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92E20
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DOI
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10.20537/vm120307
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Received
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20 April 2012
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Language
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Russian
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Citation
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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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References
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- Kenneth A. Chemical kinetics, the study of reaction rates in solution, VCH Publishers, 1991, 496 p.
- Slin'ko M.G., Zelenyak T.I., Akramov T.A., Lavrent'ev M.M., Sheplev V.S. Nonlinear dynamic of catalytic reactions and process (review), Mat. Model., 1997, vol. 9, no. 12, pp. 87-109.
- Emanuel' N.M., Knorre D.G. Kurs khimicheskoi kinetiki (Course of Chemical Kinetics), Moscow: Vysshaya shkola, 1984, 463 p.
- Nazarov M.N. Generalization of coarse-grained models with introduction of three-dimensional space, Vestn. Samar. Gos. Tekhn. Univ. Ser. Fiz.-Mat. Nauki, 2011, vol. 25, no. 4, pp. 110-117.
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Full text
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