ReaxFF simulations of the synergistic effect mechanisms during co-pyrolysis of coal and polyethylene/polystyrene
Dikun Hong, Ping Li, Ting Si, Xin Guo
Topics & Concepts
ReaxFFPolystyrenePyrolysisCoalPolyethyleneChemical engineeringChemistryMaterials scienceMolecular dynamicsOrganic chemistryPolymerComputational chemistryEngineeringInteratomic potentialThermochemical Biomass Conversion ProcessesPolymer crystallization and propertiesFiber-reinforced polymer composites