High-temperature pyrolysis of isoprenoid hydrocarbon p-menthane using ReaxFF molecular dynamics simulation
Yutong Wang, Siyuan Gong, Hongyan Wang, Ling Li, Guozhu Liu
Topics & Concepts
ReaxFFPyrolysisHydrocarbonMolecular dynamicsChemistryTerpenoidOrganic chemistryComputational chemistryStereochemistryInteratomic potentialHeat transfer and supercritical fluidsFree Radicals and AntioxidantsAdvanced Combustion Engine Technologies