ReaxFF MD simulation of microwave catalytic pyrolysis of polypropylene over Fe catalyst for hydrogen
Liansheng Yao, Fusen Zhang, Zhanlong Song, Xiqiang Zhao, Wenlong Wang, Yanpeng Mao, Jing Sun
Topics & Concepts
ReaxFFCatalysisMicrowavePyrolysisDissociation (chemistry)Molecular dynamicsHydrogen bondChemical engineeringHydrogenChemistryAdsorptionPolypropyleneMaterials sciencePhotochemistryMoleculePhysical chemistryOrganic chemistryComputational chemistryEngineeringPhysicsQuantum mechanicsThermochemical Biomass Conversion ProcessesRecycling and Waste Management Techniquesactivated carbon and charcoal