Experimental and ReaxFF MD study on the release characteristics of gaseous nitrogen during pressurized bituminous coal gasification
Ming Lei, Yiteng Zeng, Dikun Hong, Zhilin Zhao, Xi Tian, Lei Zhang, Qian Zhang, Qian Zhang
Topics & Concepts
ReaxFFNitrogenCoalChemistryBituminous coalIntegrated gasification combined cycleCoal gasificationRadicalChemical engineeringWaste managementMolecular dynamicsOrganic chemistrySyngasCatalysisComputational chemistryInteratomic potentialEngineeringThermochemical Biomass Conversion ProcessesCombustion and Detonation ProcessesCoal Combustion and Slurry Processing