Analysis and simplification of kinetic models for methane chlorination and pyrolysis

Abstract

So far, no complete reaction mechanism has been proposed for high temperature chlorination and pyrolysis of methane. Various mechanisms for the description of this reaction pathway are combined and compared in this paper. This adaptation shows that the gas phase pyrolysis of methane and methyl chloride can be combined with surface reactions via nucleation from the gas phase or on the reactor wall to reproduce the product spectrum. In addition, kinetic parameters for a global simplified one-step mechanism focused on the formation of carbon are fitted to available experimental data.