Investigation of interactions between oxygen-containing groups and water molecules on coal surfaces using density functional theory
Chengyong Wang, Yaowen Xing, Yangchao Xia, Rui Zhang, Shiwei Wang, Kaiyi Shi, Jinlong Tan, Xiahui Gui
Topics & Concepts
Chemistryvan der Waals forceAdsorptionMoleculeOxygenWettingHydrogen bondDensity functional theoryContact angleHydrogenFunctional groupX-ray photoelectron spectroscopyInorganic chemistryChemical engineeringComputational chemistryPhysical chemistryOrganic chemistryPolymerEngineeringCoal Properties and UtilizationCoal Combustion and Slurry ProcessingCoal and Its By-products