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Article information
2020 , Volume 25, ¹ 3, p.29-34
Khamidullina Z.A., Ismagilova A.S., Spivak S.I.
Determination of the basis for nonlinear parametric functions of chemical reactions
Mathematical and computer modelling of the kinetics of complex chemical reactions is considered in the present study. It was formulated that the structural mechanism of complex chemical reaction corresponds to the matrix of bonds. The appropriate theorem was proved. A graph and theoretical technique that allows determining the functional dependences of kinetic parameters directly from the graph of the reaction mechanism is developed. Based on the proposed algorithm, a program for determining the basis of nonlinear parametric functions of kinetic parameters is proposed. The program implements a graph and theoretic interpretation of the mechanisms of complex chemical reactions for constructing stationary kinetic models of catalytic reactions. An algorithm for determining the basis of nonlinear parametric functions is developed and automated. A graph and theoretical interpretation of the mechanism of a complex chemical reaction is implemented
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Keywords: kinetics of chemical reactions, matrix of bonds, basis of nonlinear parametric functions, graph of the reaction mechanism
doi: 10.25743/ICT.2020.25.3.004
Author(s):
Khamidullina Zulfiya Abudarovna
Position: Student
Office: Bashkir State University
Address: 450076, Russia, Ufa, 32 Zaki Validi Str.
Phone Office: (347) 229-96-94
E-mail: shakirova111@mail.ru
SPIN-code: 9421-0907Ismagilova Albina Sabiryanovna
Dr. , Associate Professor
Position: Head of Chair
Address: 450076, Russia, Ufa, 32 Zaki Validi Str.
Phone Office: (347)229-96-39
E-mail: ismagilovaas@yandex.ru
SPIN-code: 8482-9719Spivak Semyon Izrailevich
Dr. , Professor
Position: Head of Chair
Office: Bashkir State University
Address: 450076, Russia, Ufa, 32 Zaki Validi Str.
Phone Office: (347) 273-73-34
E-mail: semen.spivak@mail.ru
SPIN-code: 3371-6413 References:
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5. Vol’pert A.I., Khudyaev S.I. Analiz v klassakh razryvnykh funktsiy i uravneniya matematicheskoyfiziki [Analysis in classes of discontinuous functions and equations of mathematica physics]. Moscow: Nauka; 1975: 395. (In Russ.)
6. Krylov O.V. Geterogennyy kataliz [Heterogeneous catalysis]. Moscow: Akademkniga; 2004: 679. (In Russ.)
Bibliography link:
Khamidullina Z.A., Ismagilova A.S., Spivak S.I. Determination of the basis for nonlinear parametric functions of chemical reactions // Computational technologies. 2020. V. 25. ¹ 3. P. 29-34
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