Mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissions
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...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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EDP Sciences
2025-01-01
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| Series: | E3S Web of Conferences |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/27/e3sconf_geotech2025_02005.pdf |
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| _version_ | 1850151722659348480 |
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| author | Terekhov Aleksandr Huaman de los Eros Federico Ziganshina Fayruza Mavlyutova Svetlana Bespalov Ilya Galimov Aydar |
| author_facet | Terekhov Aleksandr Huaman de los Eros Federico Ziganshina Fayruza Mavlyutova Svetlana Bespalov Ilya Galimov Aydar |
| author_sort | Terekhov Aleksandr |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-68a6ea323e404c0fa321b1d2ea609fab |
| institution | OA Journals |
| issn | 2267-1242 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | E3S Web of Conferences |
| spelling | doaj-art-68a6ea323e404c0fa321b1d2ea609fab2025-08-20T02:26:09ZengEDP SciencesE3S Web of Conferences2267-12422025-01-016270200510.1051/e3sconf/202562702005e3sconf_geotech2025_02005Mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissionsTerekhov Aleksandr0Huaman de los Eros Federico1Ziganshina Fayruza2Mavlyutova Svetlana3Bespalov Ilya4Galimov Aydar5Ufa State Petroleum Technological UniversityUfa State Petroleum Technological UniversityUfa State Petroleum Technological UniversityUfa State Petroleum Technological UniversityUfa State Petroleum Technological UniversityUfa State Petroleum Technological UniversityDetermination 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.https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/27/e3sconf_geotech2025_02005.pdf |
| spellingShingle | Terekhov Aleksandr Huaman de los Eros Federico Ziganshina Fayruza Mavlyutova Svetlana Bespalov Ilya Galimov Aydar Mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissions E3S Web of Conferences |
| title | Mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissions |
| title_full | Mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissions |
| title_fullStr | Mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissions |
| title_full_unstemmed | Mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissions |
| title_short | Mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissions |
| title_sort | mathematical support for solving the direct problem of chemical kinetics to clarify the main patterns of pollutant emissions |
| url | https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/27/e3sconf_geotech2025_02005.pdf |
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