Molecular dynamic simulations and computational DFT of adsorption performances of malachite green on the metal fluorides in aqueous medium
Wafaa Boumya, Malika Khnifira, Mohamed Abdennouri, Savaş Kaya, Mounia Achak, Noureddine Barka
Topics & Concepts
ChemistryAdsorptionIntramolecular forceMalachite greenRadial distribution functionMolecular dynamicsMoleculeMetalComputational chemistryAqueous solutionWork functionPhysical chemistryInorganic chemistryStereochemistryOrganic chemistryInorganic Fluorides and Related CompoundsFluoride Effects and Removalnanoparticles nucleation surface interactions