The change of hydrogen bonding network during adsorption of multi-water molecules in lignite: Quantitative analysis based on AIM and DFT
Zhibin Qu, Fei Sun, Zhipeng Qie, Jihui Gao, Guangbo Zhao
Topics & Concepts
AdsorptionHydrogen bondMoleculeHydrogenDensity functional theoryChemistryBond energyInteraction energyBinding energyChemical physicsComputational chemistryPhysical chemistryMaterials scienceOrganic chemistryAtomic physicsPhysicsHydrocarbon exploration and reservoir analysisThermochemical Biomass Conversion ProcessesPetroleum Processing and Analysis