Reveal the main factors and adsorption behavior influencing the adsorption of pollutants on natural mineral adsorbents: Based on machine learning modeling and DFT calculation
Chen Zhao, Jie Zhang, Wenjun Zhang, Yang Yang, Donggang Guo, Haijun Zhang, Lu Liu
Topics & Concepts
MontmorilloniteAdsorptionDensity functional theoryChemistryHydrogen bondIonic bondingHOMO/LUMOIonic strengthInorganic chemistryComputational chemistryPhysical chemistryChemical engineeringMoleculeOrganic chemistryIonEngineeringAqueous solutionAdsorption and biosorption for pollutant removalWater Quality Monitoring and AnalysisWater Quality and Pollution Assessment