Adsorption mechanism of ammonia nitrogen and phenol on lignite surface: Molecular dynamics simulations and quantum chemical calculations
Meijie Sun, Suqian Gu, Xiangyang Liu, Jianping Zheng, Zhiqiang Xu, Yang Chen, Hao He, Lufan Wang
Topics & Concepts
ChemistryAdsorptionHydrogen bondPhenolvan der Waals forceBinding energyInteraction energyMolecular dynamicsNitrogenInorganic chemistryDispersion (optics)Aqueous solutionChemical engineeringMoleculeComputational chemistryOrganic chemistryEngineeringOpticsPhysicsNuclear physicsHydrocarbon exploration and reservoir analysisPetroleum Processing and AnalysisRadioactive element chemistry and processing