Construction of a coal char model and its combustion and gasification characteristics: Molecular dynamic simulations based on ReaxFF
Dikun Hong, Liang Liu, Chunbo Wang, Ting Si, Xin Guo
Topics & Concepts
ReaxFFCharPyrolysisCombustionCoalChemistryMolecular dynamicsChemical engineeringThermodynamicsMaterials scienceOrganic chemistryComputational chemistryPhysicsEngineeringInteratomic potentialThermochemical Biomass Conversion ProcessesZeolite Catalysis and SynthesisCoal Properties and Utilization