Investigation on the emission characteristics of gaseous sulfur during pressurized coal gasification by experiment and ReaxFF MD stimulation
Ming Lei, Yiteng Zeng, Dikun Hong, Yujie Hu, Wei Liu, Qian Zhang, Lei Zhang
Topics & Concepts
ReaxFFSulfurCoalWaste managementCoal gasificationEnvironmental scienceNuclear engineeringChemistryEngineeringMolecular dynamicsOrganic chemistryComputational chemistryInteratomic potentialCoal Combustion and Slurry ProcessingCoal Properties and UtilizationIndustrial Gas Emission Control