Computer Simulation of Chemical Processes and Fluid Flows in Chemical Reactors Full article
| Conference |
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 Nov - 3 Dec 2009 , Hong Kong and Macao |
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| Source | 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 Compilation, 2010. ISBN 978-0-7354-0778-7. |
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| Journal |
AIP Conference Proceedings
ISSN: 0094-243X , E-ISSN: 1551-7616 |
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| Output data | Year: 2010, Volume: 1233, Pages: 1418-1422 Pages count : 5 DOI: 10.1063/1.3452114 | ||||
| Tags | CFD, Chemical Kinetics, Computer simulation, Reaction Engineering | ||||
| Authors |
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| Affiliations |
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Funding (5)
| 1 | Russian Foundation for Basic Research | 08-01-00615 |
| 2 | Russian Foundation for Basic Research | 08-01-00622 |
| 3 | Siberian Branch of the Russian Academy of Sciences | 103 |
| 4 | Siberian Branch of the Russian Academy of Sciences | 113 |
| 5 | Президиум РАН | 15 |
Abstract:
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.
Cite:
Chernykh I.G.
, Mischenko T.I.
, Snytnikov V.N.
, Snytnikov V.N.
Computer Simulation of Chemical Processes and Fluid Flows in Chemical Reactors
In compilation 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 ANCAN OpenAlex
Computer Simulation of Chemical Processes and Fluid Flows in Chemical Reactors
In compilation 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 ANCAN OpenAlex
Dates:
| Published print: | May 21, 2010 |
Identifiers:
| Web of science: | WOS:000283003800242 |
| Scopus: | 2-s2.0-77955762614 |
| Elibrary: | 15329191 |
| Chemical Abstracts: | 2010:698468 |
| Chemical Abstracts (print): | 154:592070 |
| OpenAlex: | W2092709525 |
Citing:
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