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<p>The porous biomaterial was elaborated from Argan shells, natural residues, using the thermal decomposition method. The crushed and sieved shells were directly carbonized at a temperature of 900&#xa0;°C for 2&#xa0;h. Different methods of characterization of activated carbon (AC) thus obtained were carried out, namely analysis by X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Fourier Transform InfraRed spectroscopy (FTIR), Thermogravimetric Analysis (TGA) and nitrogen adsorption equilibrium isotherms. However, N<sub>2</sub> adsorption studies on this material gave a BET specific surface area of 471m<sup>2</sup>/g. The analyses by SEM and XRD crystallography respectively revealed that the elaborated biochar presents a porous surface and that its crystalline structure is amorphous. FTIR analysis showed that hydroxyl, alkyne, carbonyl, methylene and methyl groups compose the surface chemistry of the AC. Finally, Thermogravimetric analysis revealed that the carbonized shells have higher thermal stability than the precursor. A study using Density Functional Theory (DFT) was conducted to explore the reactivity of methylene blue (MB) and methyl orange (MO) on biochar. The global descriptors aligned well with the experimental findings.</p>

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Study of dye reactivity on Moroccan Argan shell biochar: preparation, characterization and DFT calculations

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年2月27日

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  • Abdessamad Ouedrhiri,
  • Achraf Abdou,
  • Youssef Lghazi,
  • Mohamed Ennabely,
  • Mohammed Ait himi,
  • Boubaker Youbi,
  • Abderrahim Wakif,
  • Mohamed Dakir,
  • Itto Bimaghra

摘要

The porous biomaterial was elaborated from Argan shells, natural residues, using the thermal decomposition method. The crushed and sieved shells were directly carbonized at a temperature of 900 °C for 2 h. Different methods of characterization of activated carbon (AC) thus obtained were carried out, namely analysis by X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Fourier Transform InfraRed spectroscopy (FTIR), Thermogravimetric Analysis (TGA) and nitrogen adsorption equilibrium isotherms. However, N2 adsorption studies on this material gave a BET specific surface area of 471m2/g. The analyses by SEM and XRD crystallography respectively revealed that the elaborated biochar presents a porous surface and that its crystalline structure is amorphous. FTIR analysis showed that hydroxyl, alkyne, carbonyl, methylene and methyl groups compose the surface chemistry of the AC. Finally, Thermogravimetric analysis revealed that the carbonized shells have higher thermal stability than the precursor. A study using Density Functional Theory (DFT) was conducted to explore the reactivity of methylene blue (MB) and methyl orange (MO) on biochar. The global descriptors aligned well with the experimental findings.