Mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissions
Year: 2025
Type: conference-paper
Abstract: Determination of kinetic parameters and obtaining the dependence of concentrations of substances on time is the main stage in the construction of a kinetic model. The mathematically constructed model is presented in the form of systems of differential equations. At this stage, they usually deal with two types of tasks, which are called forward and reverse. This paper presents algorithms for solving an arbitrary direct problem of chemical kinetics. As a method for solving systems of differential equations, the Rosenbrock type method is considered. The advantage of this work is to describe the solution of the direct problem for an arbitrary kinetic scheme. The input data for the program is a kinetic scheme, the output is a constructed mathematical model and the found parameters. The purpose of creating a program: finding parameters, that is, solving arbitrary found systems of differential equations based on kinetic schemes. This article describes the construction of algorithms for solving systems of homogeneous differential equations based on the methods described above.
Source: E3S Web of Conferences
Authors: Aleksandr Terekhov, Federico Huaman de los Eros, Fayruza Ziganshina, Svetlana Mavlyutova, Ilya Bespalov, Aydar Galimov
Institution: Ufa State Petroleum Technological University
Language: English
Subfield: Modeling and Simulation
Field: Mathematics
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4410448281