Computer Simulation of Direct Kinetics Tasks | Sciact - CRIS-system of Boreskov Institute of Catalysis

Computer Simulation of Direct Kinetics Tasks Full article

Journal

Bulletin of the Novosibirsk Computing Center. Series: Numerical Analysis
ISSN: 1680-7006

Output data

Year: 2011, Volume: 15, Pages: 7-16 Pages count : 10

Authors

Chernykh I.G. ¹ , Stoyanovskaya O.P. ² , Zasypkina O.A. ² , Antonova M.S. ³

Affiliations

1	Institute of Computational Mathematics and Mathematical Geophysics
2	Institute of Catalysis
3	Novosibirsk State University

Funding (3)

1	Siberian Branch of the Russian Academy of Sciences	40
2	Siberian Branch of the Russian Academy of Sciences	26
3	The Ministry of Education and Science of the Russian Federation

A new technology for the simulation of physico-chemical processes in a reactive medium is proposed, which allows optimizing and adjusting kinetic schemes of chemical reactions. To implement the technology, a ChemPAK software tool, which is used to solve the primal problems of chemical kinetics, was developed. The proposed technological solution has proved to be efficient in a series of studies. The schemes presented in the literature for the gas-phase pyrolysis of ethane and the Butlerov reaction of organic synthesis of sugars were considered along with their modifications. A high precision solver gives the possibility to the user to simulate kinetics schemes with a high stiff value of ODE.

Chernykh I.G. , Stoyanovskaya O.P. , Zasypkina O.A. , Antonova M.S.
Computer Simulation of Direct Kinetics Tasks
Bulletin of the Novosibirsk Computing Center. Series: Numerical Analysis. 2011. V.15. P.7-16. РИНЦ

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