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Mechanism of phenol and p-nitrophenol adsorption on kaolinite surface in aqueous medium: A molecular dynamics study

Danish Khan, Jyoti Kuntail, Indrajit Sinha

2022Journal of Molecular Graphics and Modelling23 citationsDOI

Topics & Concepts

AdsorptionKaoliniteChemistryAqueous solutionMolecular dynamicsLangmuirPhenolFreundlich equationHydrogen bondMonolayerMoleculeInorganic chemistryChemical engineeringComputational chemistryPhysical chemistryOrganic chemistryMineralogyEngineeringBiochemistryClay minerals and soil interactionsSpectroscopy and Quantum Chemical StudiesAdsorption and biosorption for pollutant removal
Mechanism of phenol and p-nitrophenol adsorption on kaolinite surface in aqueous medium: A molecular dynamics study | Litcius