Adsorption mechanism insights into CPAM structural units on kaolinite surfaces: A DFT simulation
Bao Ren, Fanfei Min, Jun Chen, Fei Fang, Chunfu Liu
Topics & Concepts
KaoliniteAdsorptionHydrogen bondMulliken population analysisDensity functional theoryChemistryPopulationMaterials scienceChemical physicsMoleculeCrystallographyComputational chemistryChemical engineeringPhysical chemistryMineralogyOrganic chemistryDemographySociologyEngineeringIron oxide chemistry and applicationsMinerals Flotation and Separation TechniquesClay minerals and soil interactions