Malika Khnifira

A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions

Malika Khnifira, Wafaa Boumya, Mohamed Abdennouri et al. · International Journal of Biological Macromolecules · 2020 · 103 citations

Chemical Engineering, Engineering, Surface Chemistry +9

Adsorption mechanisms investigation of methylene blue on the (0 0 1) zeolite 4A surface in aqueous medium by computational approach and molecular dynamics

Malika Khnifira, S. El Hamidi, M. Sadiq et al. · Applied Surface Science · 2021 · 78 citations

Molecular Sieve, Chemical Engineering, Molecular Dynamics +11

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

Wafaa Boumya, Malika Khnifira, A. Machrouhi et al. · Journal of Molecular Liquids · 2021 · 65 citations

Engineering, Surface Functionalization, Surface Chemistry +11

A combined DFT, Monte Carlo, and MD simulations of adsorption study of heavy metals on the carbon graphite (111) surface

Malika Khnifira, Wafaa Boumya, Jamal Attarki et al. · Chemical Physics Impact · 2022 · 63 citations · Full text

Theoretical and experimental study of the adsorption characteristics of Methylene Blue on titanium dioxide surface using DFT and Monte Carlo dynamic simulation

Malika Khnifira, S. El Hamidi, A. Machrouhi et al. · Desalination and Water Treatment · 2020 · 51 citations · Full text