Molecular simulation of CH4 adsorption characteristics in bituminous coal after different functional group fractures
Bingnan Ji, Hongyu Pan, Mingkun Pang, Mingyue Pan, Hang Zhang, Tianjun Zhang
Topics & Concepts
AdsorptionDensity functional theoryFunctional groupCoalChemistryDesorptionBituminous coalMoleculeSulfurCoalbed methaneChemical engineeringComputational chemistryOrganic chemistryPolymerCoal miningEngineeringCoal Properties and UtilizationHydrocarbon exploration and reservoir analysisCoal and Its By-products