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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 16(20), p. 10741-10752

DOI: 10.1039/c7cp07552a

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Ab initio calculations and kinetic modeling of thermal conversion of methyl chloride: implications for gasification of biomass

Journal article published in 2018 by Mallika Singla, Morten Lund Rasmussen, Hamid Hashemi ORCID, Hao Wu ORCID, Peter Glarborg ORCID, Matteo Pelucchi ORCID, Tiziano Faravelli, Paul Marshall ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Ab initio theory is used to obtain rate coefficients for key reactions in the CH3Cl subset; kinetic modeling is then used for analysis of practical application.