The adsorption mechanism of the anionic and cationic dyes of the cationic resin A®IRC-50, kinetic study and theoretical investigation using DFT

Abstract

Photovoltaic properties and kinetic adsorption the various organic dyes have been employed in our work. B3LYP/6-311G (d, p) method is utilized to obtain the optimal geometries of the electronic properties also of the parameters adsorption of the different organic dyes as cationic as [safranin (SF) and Methylene bleu] and anionic as [(MO)] on the biopolymer resin Amberlite®IRC-50 (A®IRC-50). The results experimentally as well showed the anionic dye MO is the most suitable adsorption for on the resin A®IRC-50 that time of a 60 min, the maximum capacity content of SF was 7.15 mg g−1, of MB was 7.36 mg/and of MO was 8.76 mg g−1. The various dyes adsorption mechanisms are also interpreted by spectroscopy FTIR and energy-dispersive X-ray (EDX). Dramatically, the introduction of the chemical treatment allows the increase of the content of activated functional groups in the resin, leading to a higher amount of the adsorption on the various dyes. The HOMO and LUMO energy levels of the structures of the various dyes with the cationic resin can make a positive impact of electron injection and different dyes regenerations. The quantum descriptors investigated in this work support the experimental results.