A combined molecular dynamics simulation, DFT calculations, and experimental study of the adsorption of Rhodamine B dye on kaolinite and hydroxyapatite in aqueous solutions
Anouar Ameziane El Hassani, Karim Tanji, Imane El Mrabet, Youssef Fahoul, Abdelali El Gaidoumi, Adil Touimi Benjelloun, M. Sfaira, Hicham Zaitan, Abdelhak Kherbeche
Topics & Concepts
AdsorptionKaoliniteRhodamine BMaterials scienceFreundlich equationEndothermic processAqueous solutionChemical engineeringMolecular dynamicsFourier transform infrared spectroscopyKineticsPhysical chemistryChemistryOrganic chemistryComputational chemistryCatalysisPhotocatalysisMetallurgyPhysicsQuantum mechanicsEngineeringAdsorption and biosorption for pollutant removalClay minerals and soil interactionsAdsorption, diffusion, and thermodynamic properties of materials