Adsorption of CO2/CH4/N2 by different functional groups in coal doped with N, S, and Na atoms: A DFT and GCMC study
Jinzhang Jia, Hailong Song, Peng Jia, Zhen Li
Topics & Concepts
AdsorptionDensity functional theoryChemistryDopingAlkali metalCarbon fibersOxygenFunctional groupAtom (system on chip)Inorganic chemistryPhysical chemistryComputational chemistryMaterials scienceOrganic chemistryComputer sciencePolymerOptoelectronicsComposite materialComposite numberEmbedded systemCarbon Dioxide Capture TechnologiesChemical Looping and Thermochemical ProcessesCoal Properties and Utilization