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Molecular dynamic simulation and DFT computational studies on the adsorption performances of methylene blue in aqueous solutions by orange peel-modified phosphoric acid

Solvent ExtractionChemical EngineeringEngineeringSurface ChemistryMethylene BlueChemisorptionPhysical ChemistryComputational ChemistryAdsorptionChemistryMolecular Dynamic SimulationChemical KineticsDft Computational StudiesSolution (Chemistry)