Intrinsic hydrophobicity of smectite basal surfaces quantitatively probed by molecular dynamics simulations
Marek Szczerba, Andrey G. Kalinichev, Mariola Kowalik
Topics & Concepts
PyrophylliteMolecular dynamicsWettingChemical physicsClay mineralsSiloxaneSurface chargeChemistryIonCounterionContact angleMineralogyCrystallographyMaterials sciencePhysical chemistryComputational chemistryComposite materialOrganic chemistryPolymerSoil and Unsaturated FlowClay minerals and soil interactionsIron oxide chemistry and applications