Pyrolysis and oxidation mechanisms of ethylene and ethanol blended fuel based on ReaxFF molecular dynamics simulation
Liang Song, Chun-Chen Xu, Jing Ye, Yong Zhang, Biao Chen, Biao Chen, Fang-Chao Hou, Bo-Cong Chen, Bo-Cong Chen, Hao-Long Su, Jing Sun
Topics & Concepts
ReaxFFMolecular dynamicsPyrolysisEthyleneEthanolChemical engineeringChemistryMaterials scienceOrganic chemistryComputational chemistryCatalysisInteratomic potentialEngineeringAdvanced Combustion Engine TechnologiesHeat transfer and supercritical fluidsThermochemical Biomass Conversion Processes