Adsorption properties of coriander seeds: Spectroscopic kinetic thermodynamic and computational approaches

Abstract

Abstract The present work aimed to investigate the potential power of coriander seeds to remove dyes from contaminated solutions. The characterization of the adsorbent before and after the adsorption of indigo blue and methyl orange have shown that they have a porous structure rich in active sites, which constitutes a very important seat to fix organic pollutants. Then, the study of the adsorption of indigo blue and methyl orange by CS was highlighted through parametric study, thermodynamic study, mathematical modelling and spectroscopic analysis. The optimal contact time for the biosorption performance of CS are 20 and 35\xa0min for IB and MO, respectively. Then, the biosorption capacity of coriander seeds powder increases from 9 to 124\xa0mg.g−1 and from 8.23 to 42\xa0mg.g−1 for IB and MO, respectively. Further, The elimination yield values of the biosorption capacity of coriander seeds are 92 and 83 % for IB and MO, respectively. Further, global quantum chemical descriptors (GQCDs) namely EHOMO, ELUMO, energy gaps, electronegativity, hardness, electrophilicity, fractions of electron transferred between cellulose that is the major component of coriander seeds and both of studied dyes IB and MO were performed through density functional theory (DFT) method at M06-2x functional with 6-311G(d,p) basis set and were also examined and more discussed. All the obtained results were in a good correlation with experimental, spectroscopic, mathematical modelling and thermodynamic studies.