Litcius/Paper detail

Reaction mechanism and light gas conversion in pyrolysis and oxidation of dimethyl ether (DME): A ReaxFF molecular dynamics study

Yang Yu, Reo Kai, Hiroaki Watanabe

2024Energy16 citationsDOI

Topics & Concepts

Dimethyl etherChemistryFormaldehydeReaxFFMethanolOxygenatePyrolysisRadicalCombustionOxygenReaction mechanismPhotochemistryCatalysisSyngasRedoxMethaneHydrogenInorganic chemistryOrganic chemistryMoleculeHydrogen bondCatalytic Processes in Materials ScienceThermochemical Biomass Conversion ProcessesCatalysis and Oxidation Reactions