Molecular insights through computational modeling of methylene blue adsorption onto low-cost adsorbents derived from natural materials: A multi-model's approach
Asma Nakhli, Manel Bergaoui, Khadra–Hanane Toumi, Mohamed Khalfaoui, Yacine Benguerba, Marco Balsamo, Felycia Edi Soetaredjo, Suryadi Ismadji, Barbara Ernst, Alessandro Erto
Topics & Concepts
AdsorptionMethylene blueNucleophileActivated carbonChemistryvan der Waals forceHydrogen bondMethyleneCarboxylateElectrophileMonte Carlo methodCarbon fibersChemical engineeringComputational chemistryMoleculeMaterials scienceOrganic chemistryComposite materialCatalysisComposite numberStatisticsEngineeringPhotocatalysisMathematicsAdsorption and biosorption for pollutant removalGraphene research and applicationsCarbon Nanotubes in Composites