Generation and reduction of the reaction mechanism representing the initial attack upon methane in combustion

A. Németh, K. Héberger

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Reactions providing the initial attack upon methane in oxidation processes at high temperature were investigated by computer modelling The method improved for complex reaction mechanisms of high temperature oxidation of hydrocarbons involves the combinatorial generation of the reaction mechanism and its reduction by complexity, reaction enthalpy and free energy constraints. While mostly only three reactions are taken into account for the simulation of methane consumption in the process, the reaction set consisting of 14 reactions enlarges the domain of reactions worthwhile to be considered for a most comprehensive simulation.

Original languageEnglish
Pages (from-to)467-475
Number of pages9
JournalOxidation Communications
Issue number4
Publication statusPublished - Dec 1 1996


ASJC Scopus subject areas

  • Chemistry(all)

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