The destructive oxidation of dyes and textile effluents has recently received considerable attention since colored aromatic compounds have proven to be degraded effectively by a variety of AOPs. We calculated its electronic and optical properties by using DFT and TD-DFT methods at B3LYP/6-311+G(,p) level in solvent (IEF-PCM model) To determine the reactivity and the active sites of azo dye reactive violet5R (V5R). The results showed that V5R is polar and high soluble in water. A good correlation was obtained between the predicted and experimental absorption bands of V5R (R2=97%).
The objective of this work is to study the removal of violet 5R azo dye by adsorption on powdered activated carbon. Following for kinetics adsorption showed that the best results were obtained after 10 minutes of agitation of a solution of 100 ml of violet 5R 10-4M with 10 mg/l of PAC. The initial amount of the dye and the pH of the medium influence greatly the rate of retention.
The objective of this work is to study the possibility of removal of orange 16 azo dye by adsorption on powdered activated carbon and the effect of different reaction parameters. During the experimental study, adsorption tests were carried out in reactor static solutions of this compound in distilled water. Following for kinetics adsorption showed that the best results were obtained after 15 minutes of agitation of a solution of 100 ml of orange 16 10-4M with 10 mg of PAC. The initial amount of the dye and the pH of the medium influence greatly the rate of retention.
Azo dyes constitute the largest family of synthetic dyes. They are widely used in the textile, dye stuff and pharmaceutical industries. The uncontrolled and undesirable discharge of the azo dyes into the environment may represent a serious ecological problems and health effects. The oxidation of azo dyes (e.g., Photo-oxidation, Oxidation by ozone) leads to its degradation. To determine the reactivity and the active sites of azo dye reactive Orange 16 (RO16) , we calculated its electronic and optical properties by using DFT and TD-DFT methods at B3LYP/6-311+G(,p) level in solvent (IEF-PCM model). The results showed that RO16 is polar and high soluble compounds in water. The Fukui indices showed that the N11 is the favoured site of nucleophilic attack (e.g, ozone). A good correlation was obtained between the predicted and experimental absorption bands of RO16 (R2=97%).
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