Detailed and reduced chemical kinetic model of CH4/air mixtures combustion based on high-precision first-principles molecular dynamics simulation
Teng Zhang, Liefeng Shou, Lang Chen, Hongliang Wang, Yao Long, Zhongqi Wang, Jun Chen
Topics & Concepts
CombustionChemistryRadicalLaminar flowElementary reactionMolecular dynamicsChemical kineticsKinetic energyIgnition systemChemical reaction engineeringKineticsWork (physics)Reaction mechanismThermodynamicsComputational chemistryPhysical chemistryOrganic chemistryCatalysisQuantum mechanicsPhysicsAdvanced Combustion Engine TechnologiesCatalytic Processes in Materials ScienceCombustion and flame dynamics