Soot formation of n-decane pyrolysis: A mechanistic view from ReaxFF molecular dynamics simulation
Lu Liu, Huajie Xu, Quan Zhu, Haisheng Ren, Xiangyuan Li
Topics & Concepts
ReaxFFMolecular dynamicsDecaneSootPyrolysisChemistryChemical physicsMaterials scienceCombustionComputational chemistryChemical engineeringOrganic chemistryInteratomic potentialEngineeringAdvanced Combustion Engine TechnologiesAdvanced Chemical Physics StudiesHeat transfer and supercritical fluids