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Method for Solving the Inverse Problem of the Chemical Kinetics of Multistage Reactions

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Abstract

A method for solving the inverse problem of chemical kinetics based on the data of non-stationary experiments for multistage reactions is described. The method is based on the use of splines, which take into account the relaxation features of reactions with monotone kinetics. Examples of using the method to determine the intervals of physical values of the rate constants of two- and three-stage reactions are given. The influence of the spline structure on error in the determination of rate constants of stages is estimated. The effectiveness of the method for solving the inverse problem of chemical kinetics for multistage reactions is shown with consideration for errors in the determination of experimental data.

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ACKNOWLEDGMENTS

I am grateful to V.Kh. Fedotov for his participation in a discussion of this work.

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Authors and Affiliations

  1. Faculty of Chemistry and Pharmaceutics, Ul’yanov Chuvash State University, 428015, Cheboksary, Russia

    N. I. Kol’tsov

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  1. N. I. Kol’tsov
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Correspondence to N. I. Kol’tsov.

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Translated by V. Makhlyarchuk

Abbreviations and notation: ODEs, ordinary differential equations; ICs, initial conditions; SSs, stationary states; LSCLs, linear stoichiometric conservation laws.

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Kol’tsov, N.I. Method for Solving the Inverse Problem of the Chemical Kinetics of Multistage Reactions. Kinet Catal 61, 833–838 (2020). https://doi.org/10.1134/S0023158420040096

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