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Computer Simulation of Chemical Processes and Fluid Flows in Chemical Reactors Научная публикация

Конференция 2nd International Symposium on Computational Mechanics (ISCM II) in conjunction with 12th International Conference on the Enhancement and Promotion of Computational Methods in Engineering and Science (EPMESC XII)
30 нояб. - 3 дек. 2009 , Hong Kong and Macao
Сборник Proceedings of the 2nd International Symposium on Computational Mechanics and the 12th International Conference on the Enhancement and Promotion of Computational Methods in Engineering and Science
Сборник, 2010. ISBN 978-0-7354-0778-7.
Журнал AIP Conference Proceedings
ISSN: 0094-243X , E-ISSN: 1551-7616
Вых. Данные Год: 2010, Том: 1233, Страницы: 1418-1422 Страниц : 5 DOI: 10.1063/1.3452114
Ключевые слова CFD, Chemical Kinetics, Computer simulation, Reaction Engineering
Авторы Chernykh I.G. 1 , Mischenko T.I. 1 , Snytnikov V.N. 1 , Snytnikov Vl.N. 2
Организации
1 Institute of Computational Mathematics and Mathematical Geophysics SB RAS, Lavrentjeva ave. 6, Novosibirsk, 630090, Russia
2 Boreskov Institute of Catalysis SB RAS, Lavrentjeva ave. 5, Novosibirsk, 630090, Russia

Информация о финансировании (5)

1 Российский фонд фундаментальных исследований 08-01-00615
2 Российский фонд фундаментальных исследований 08-01-00622
3 Сибирское отделение Российской академии наук 103
4 Сибирское отделение Российской академии наук 113
5 Президиум РАН 15

Реферат: The optimization of kinetic scheme of chemical process is the important stage of computer simulation of chemical processes. This iterative method consists from the next steps: proposition of scheme from theory, translation scheme to the system of ordinary differential equation (ODE), finding solution of this system, comparison results with experimental data, modification of kinetics scheme. ChemPAK software package was created for automation of this process. ChemPAK consists of network database, computational modules and visual interface. User can create and edit systems of chemical equations with unlimited number of equations with easy‐to‐use interface, translate systems of chemical equations to systems of ODE, add some new equations to the translated system and solve this system by using one of ChemPAK computational modules. Optimized kinetics scheme can be used in FLUENT software for modelling fluid flows, heat transfer and chemical reactions. ChemPAK creates FLUENT database file with chemical reactions kinetics scheme. The results of 3D modelling of gas‐dynamics reactant flows with heat transfer from laser energy are presented by example of the C2 ‐hydrocarbons conversion task. Kinetics scheme was optimized with using ChemPAK software package. CFD with chemical reactions effect modelling was produced with using FLUENT software.
Библиографическая ссылка: Chernykh I.G. , Mischenko T.I. , Snytnikov V.N. , Snytnikov V.N.
Computer Simulation of Chemical Processes and Fluid Flows in Chemical Reactors
В сборнике Proceedings of the 2nd International Symposium on Computational Mechanics and the 12th International Conference on the Enhancement and Promotion of Computational Methods in Engineering and Science. 2010. – C.1418-1422. – ISBN 978-0-7354-0778-7. DOI: 10.1063/1.3452114 WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
Опубликована в печати: 21 мая 2010 г.
Идентификаторы БД:
Web of science: WOS:000283003800242
Scopus: 2-s2.0-77955762614
РИНЦ: 15329191
Chemical Abstracts: 2010:698468
Chemical Abstracts (print): 154:592070
OpenAlex: W2092709525
Цитирование в БД: Пока нет цитирований
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