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Theoretical and experimental adsorption studies of phenol and crystal violet dye on carbon nanotube functionalized with deep eutectic solvent

Highlights•DES-functionalized carbon nanotubes are efficient for phenol and crystal dye removal.•Kinetic, isotherm and thermodynamics of adsorption were determined.•Adsorption results were supported by computational simulation.AbstractThe removal of phenol and crystal violet dye using carbon nanotubes (CNTs) modified with deep eutectic solvent (DES) was investigated. DES (mixture of methyltriphenylphosphonium bromide and glycerol) was prepared and characterized by nuclear magnetic resonance (1H and 13C NMR). The DES was thereafter used to modify CNTs to form CNT–DES. The modified CNTs and CNTs only were characterized using FT–IR, scanning electron microscopy (SEM), and X-ray diffraction (XRD) and used in the adsorption study of phenol (PHE) and crystal violet dye (CRV). The effects of adsorbates concentration, solution pH and contact time were investigated in order to determine optimal experimental conditions. Adsorption data was better described by the pseudo-second-order kinetics and Freundlich isotherm for both CRV and PHE on CNTs and CNT–DES. Computational modelling was used to explain the possible adsorption interactions of CNT and CNT–DES with CRV and PHE, respectively. The modified moiety was better than CNT only for the adsorption of these compounds, which is in agreement with experimental outcome.Graphical abstractDownload high-res image (132KB)Download full-size image


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