Radical Chemistry in Methane Oxidative Coupling: Tracing of Ethylene Secondary Reactions with Computer Models and Isotopes

Article abstract of DOI:10.1021/j100101a041

The reaction pathways of ethylene during methane oxidative coupling(Li)MgO catalysts were investigated by detailed isotopic analysis of all the products from 12C2H4:13CH4:O2 reactant mixtures.Ethylene oxidation has little effect on the concurrent methane conversion, even at comparable mole fractions.By comparison with an extensive computer model of the gas-phase chemistry, the surface is seen to effectively quench much of the oxidative gas-phase radical chemistry.The detailed C3 and C4 hydrocarbon yields and isotopic distributions, however, are well described by gas-phase hydrocarbon radical pathways.