ChemPAK Software Package as an Environment for Kinetics Scheme Evaluation

Igor Chernykh, Institute of Computational Mathematics and Mathematical Geophysics SB RAS
Olga Stoyanovskaya, Boreskov Institute of Catalysis SB RAS
Olga Zasypkina, Boreskov Institute of Catalysis SB RAS

Abstract

A new technology for the simulation of physico-chemical processes in reactive medium is suggested, 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 proved to be efficient in a series of studies. 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.

Recommended Citation

Chernykh, Igor; Stoyanovskaya, Olga; and Zasypkina, Olga (2009) "ChemPAK Software Package as an Environment for Kinetics Scheme Evaluation," Chemical Product and Process Modeling: Vol. 4 : Iss. 4, Article 3.
DOI: 10.2202/1934-2659.1288
Available at: http://www.bepress.com/cppm/vol4/iss4/3

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