Identification of the Interval Constants of the Rates of the Chemical Reaction of Naphthalene Oxidation

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Abstract

In this work, the previously developed approach of parametric identification of dynamic systems with interval parameters is applied to the problem of finding the rate constants of the chemical reaction of naphthalene oxidation. This reaction is of practical importance in the production of plastics and paints and varnishes. The essence of the considered approach lies in the compilation of the objective function in the space of the boundaries of the interval parameters and characterizing the deviation of the model solution from the experimental data. For the objective function, it is possible to construct a gradient and use first-order methods to optimize it. The approach is based on the adaptive interpolation algorithm, which makes it possible to obtain solutions for direct interval problems in the form of explicit parametric sets. The found interval estimates of the rate constants are consistent with the known ones, but at the same time they have a smaller width, which demonstrates the advantage of the approach used.

General Information

Keywords: interval parametric identification, adaptive interpolation algorithm, interval system of ordinary differential equations, optimization, gradient methods, chemical kinetics, rate constants, naphthalene oxidation

Journal rubric: Optimization Methods

Article type: scientific article

DOI: https://doi.org/10.17759/mda.2023130305

Received: 14.07.2023

Accepted:

For citation: Morozov A.Y. Identification of the Interval Constants of the Rates of the Chemical Reaction of Naphthalene Oxidation. Modelirovanie i analiz dannikh = Modelling and Data Analysis, 2023. Vol. 13, no. 3, pp. 66–78. DOI: 10.17759/mda.2023130305. (In Russ., аbstr. in Engl.)

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Information About the Authors

Alexander Y. Morozov, PhD in Physics and Matematics, Researcher, Department 27 "Mathematical Modeling of Heterogeneous Systems", Federal Research Center Computer Science and Control of the Russian Academy of Sciences, Moscow, Russia, ORCID: https://orcid.org/0000-0003-0364-8665, e-mail: morozov@infway.ru

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