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<p>This study aimed to investigate the potential of Algerian biomass Date Palm Spikelet (<i>Phoenix dactylifera</i>) as an efficient adsorbent for the removal of Malachite Green (MG). The valorization of biomass was performed by chemical treatment with sulfuric acid (H<sub>2</sub>SO<sub>4</sub>). The obtained material (TDPS) was analyzed through adsorption – desorption of N<sub>2</sub>, scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), Boehm titration, and pH of point of zero charge (pH<sub>PZC</sub>). The specific surface area of TDPS was S<sub>BET</sub> = 0.5 m<sup>2</sup>/g, and pH<sub>PZC</sub> was 3.2. The Box–Behnken design (BBD) was used to analyze the impact of the adsorbent mass (A), initial dye concentration (B), and solution pH (C) on the removal efficiency of MG dye from aqueous solutions. The interaction between factors A and B was statistically significant, with a p-value of AB less than 0.05. The results showed that MG adsorption was best described by the Freundlich isotherm model, indicating multilayer behavior, which was endothermic and followed the pseudo-second order model. The chemical regeneration of TDPS by NaOH indicated that the material exhibited excellent MG adsorption efficiency after four cycles. Density functional theory (DFT) calculations indicated that the adsorption mechanism of MG is governed by electrostatic interactions, hydrogen bonding, and n-π interactions with MG molecules and TDPS.</p> Graphical Abstract <p></p>

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Efficient removal of malachite green using modified Algerian date palm spikelet: characterization, design of experiment (Box–Behnken), density functional theory analysis, regeneration and mechanistic insights

  • 期刊论文

  • 发表日期：

    2025年9月27日

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  • Mounir Daoud,
  • Yasmina Khane,
  • Djaber Aouf,
  • Oumessaâd Benturki,
  • Pierre Girods,
  • Yann Rogaume,
  • Sébastien Fontana

摘要

This study aimed to investigate the potential of Algerian biomass Date Palm Spikelet (Phoenix dactylifera) as an efficient adsorbent for the removal of Malachite Green (MG). The valorization of biomass was performed by chemical treatment with sulfuric acid (H2SO4). The obtained material (TDPS) was analyzed through adsorption – desorption of N2, scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), Boehm titration, and pH of point of zero charge (pHPZC). The specific surface area of TDPS was SBET = 0.5 m2/g, and pHPZC was 3.2. The Box–Behnken design (BBD) was used to analyze the impact of the adsorbent mass (A), initial dye concentration (B), and solution pH (C) on the removal efficiency of MG dye from aqueous solutions. The interaction between factors A and B was statistically significant, with a p-value of AB less than 0.05. The results showed that MG adsorption was best described by the Freundlich isotherm model, indicating multilayer behavior, which was endothermic and followed the pseudo-second order model. The chemical regeneration of TDPS by NaOH indicated that the material exhibited excellent MG adsorption efficiency after four cycles. Density functional theory (DFT) calculations indicated that the adsorption mechanism of MG is governed by electrostatic interactions, hydrogen bonding, and n-π interactions with MG molecules and TDPS.

Graphical Abstract