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Adsorption of Eriochrome Black T on the chitin surface: Experimental study, DFT calculations and molecular dynamics simulation

Wafaa Boumya, Malika Khnifira, A. Machrouhi, Mohamed Abdennouri, M. Sadiq, Mounia Achak, Goncagül Serdaroğlu, Savaş Kaya, Selçuk Şimşek, Noureddine Barka

2021Journal of Molecular Liquids67 citationsDOI

Topics & Concepts

AdsorptionChemisorptionMolecular dynamicsLangmuir adsorption modelChemistryDensity functional theoryFourier transform infrared spectroscopyPhysical chemistryAqueous solutionExothermic processExothermic reactionChitinLangmuirEndothermic processComputational chemistryMaterials scienceThermodynamicsChemical engineeringOrganic chemistryChitosanEngineeringPhysicsAdsorption and biosorption for pollutant removalNanocomposite Films for Food PackagingPolymer Surface Interaction Studies
Adsorption of Eriochrome Black T on the chitin surface: Experimental study, DFT calculations and molecular dynamics simulation | Litcius