Elucidating the adsorption mechanisms of anionic dyes on chitosan (110) surface in aqueous medium by quantum chemical and molecular dynamics
Malika Khnifira, Wafaa Boumya, Jamal Attarki, Anas Mahsoune, Mohamed Abdennouri, M. Sadiq, Savaş Kaya, Noureddine Barka
Topics & Concepts
AdsorptionChitosanMaterials scienceMoleculeMolecular dynamicsChemisorptionPhysical chemistryChemical physicsChemical engineeringComputational chemistryChemistryOrganic chemistryEngineeringDye analysis and toxicityAdsorption and biosorption for pollutant removalElectrochemical Analysis and Applications