Removal of crystal violet dye using a three-dimensional network of date pits powder/sodium alginate hydrogel beads: Experimental optimization and DFT calculation

Abstract

Biodegradable and very low-cost adsorbent beads were prepared from date pits powder (DP) and sodium alginate (SA). DP to SA ratios was varied (1/2, 1/4 and 1/6) and used to eliminate Crystal violet (CV) a cationic dye. Adsorbents were characterized by FTIR, SEM-EDS, UV-vis DR, TGA and the point of zero charge (pH_PZC). The optimal composite beads SA@6DP show high adsorption capacities of 83.565 mg/g toward CV than SA@2DP and SA@4DP. The kinetics investigation showed that the adsorption is well described by the pseudo-second-order kinetic (R² = 0.998). The thermodynamics and isotherms studies exhibit that the adsorption phenomenon for SA@6DP adsorbent is endothermic and significantly fitted with the Redlich-Peterson model. The experimental adsorption tests were optimized by the Box-Behnken design (BBD) which led to conclude the maximal CV removal efficiency achieved by SA@6DP was 99.873 % using [CV] = 50 mg/L, adsorbent mass = 20 mg and 48 h of contact time. The theoretical calculation proved that the CV molecules favor the mode of attack due to their electrophilic character and can accept the SA@6DP adsorbent electrons more easily to form an anti-bonding orbital. SA@6DP hydrogel beads are therefore an exceptional bio-adsorbent that offers excellent adsorption performance.

Keywords: Adsorption; Crystal violet; DFT study; Optimization; Sodium alginate.