Oxidation mechanism of methane fuel blended with dimethyl ether/hydrogen/ammonia via ReaxFF molecular dynamics simulation
Liang Song, Chun-Chen Xu, Jing Ye, Yong Zhang, Fang-Chao Hou, Bo-Cong Chen, Hao-Long Su, Jing Sun
Topics & Concepts
ReaxFFDimethyl etherMolecular dynamicsMethaneAmmoniaHydrogenChemistryChemical engineeringMaterials scienceEtherOrganic chemistryComputational chemistryCatalysisEngineeringInteratomic potentialAdvanced Combustion Engine TechnologiesCombustion and flame dynamicsCatalytic Processes in Materials Science