Formation mechanism of polycyclic aromatic hydrocarbons during mineral oil pyrolysis: A ReaxFF molecular dynamics study
Linlin Xu, Gan Wan, Lushi Sun, Lin Li
Topics & Concepts
ReaxFFChemistryPyrolysisMolecular dynamicsMineral oilMechanism (biology)Computational chemistryOrganic chemistryEnvironmental chemistryPhilosophyEpistemologyInteratomic potentialHeat transfer and supercritical fluidsThermochemical Biomass Conversion ProcessesPetroleum Processing and Analysis