Influence mechanism of Fe(II/III) doping on the adsorption of methylamine salts on kaolinite surfaces elucidated through DFT calculations
Yunjia Ling, Jun Chen, Fanfei Min, Yali Cheng, Xinxia Chu, Huanhuan Shang, Tianyue Wang
Topics & Concepts
AdsorptionMethylamineChemistryInorganic chemistryvan der Waals forceAlkylHydrogen bondKaoliniteMulliken population analysisDensity functional theoryInteraction energyHydrophobic effectPhysical chemistryComputational chemistryMoleculeOrganic chemistryMineralogyAdsorption and biosorption for pollutant removalClay minerals and soil interactionsAnalytical chemistry methods development