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<p>In recent years, the combination of experimental and theoretical studies to elucidate adsorbate-adsorbent interactions has gained significant attention. In this context, the research focuses on the adsorption of two cationic dyes, Aniline Blue (AB) and Malachite Green (MG), using activated carbon (AC) derived from pig hooves biomass (PHB) as a green adsorbent. The AC exhibited a BET surface area of 334.031 m<sup>2</sup>/g and an average pore volume of 0.007 cm<sup>3</sup>/g. Under optimized conditions, the removal efficiencies for AB and MG were exceptionally high, reaching 99.3% and 99.16%, respectively, with Langmuir model providing the best fit. Kinetic data were well described by a pseudo-second-order model for both dyes, with a high coefficient of determination (R<sup>2</sup> close to unity), low chi-square (χ<sup>2</sup>), and Root Mean Square Error (RMSE). Thermodynamic analysis revealed the adsorption process as spontaneous and endothermic. Density functional theory (DFT) simulations confirmed the experimental results, indicating the adsorption of AB and MG onto AC was highly favorable. Amongst the analyzed oxygen functional groups, carboxyl group had the most significant impact on adsorption with the most negative adsorption energies. Regeneration studies demonstrated that the AC could be reused for up to six cycles, suggesting its reusability. These results highlight the efficient adsorption of both dyes onto the AC, in agreement with isothermal adsorption observations, making it a promising solution for wastewater treatment applications.</p> Graphical Abstract <p></p>

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Experimental and theoretical insights on biomass-derived activated carbon for the removal of aniline blue and malachite green dyes

  • 期刊论文

  • 发表日期：

    2025年4月15日

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  • Tsenbeni N. Lotha,
  • Lemzila Rudithongru,
  • Vevosa Nakro,
  • Ketiyala Ao,
  • Latonglila Jamir

摘要

In recent years, the combination of experimental and theoretical studies to elucidate adsorbate-adsorbent interactions has gained significant attention. In this context, the research focuses on the adsorption of two cationic dyes, Aniline Blue (AB) and Malachite Green (MG), using activated carbon (AC) derived from pig hooves biomass (PHB) as a green adsorbent. The AC exhibited a BET surface area of 334.031 m2/g and an average pore volume of 0.007 cm3/g. Under optimized conditions, the removal efficiencies for AB and MG were exceptionally high, reaching 99.3% and 99.16%, respectively, with Langmuir model providing the best fit. Kinetic data were well described by a pseudo-second-order model for both dyes, with a high coefficient of determination (R2 close to unity), low chi-square (χ2), and Root Mean Square Error (RMSE). Thermodynamic analysis revealed the adsorption process as spontaneous and endothermic. Density functional theory (DFT) simulations confirmed the experimental results, indicating the adsorption of AB and MG onto AC was highly favorable. Amongst the analyzed oxygen functional groups, carboxyl group had the most significant impact on adsorption with the most negative adsorption energies. Regeneration studies demonstrated that the AC could be reused for up to six cycles, suggesting its reusability. These results highlight the efficient adsorption of both dyes onto the AC, in agreement with isothermal adsorption observations, making it a promising solution for wastewater treatment applications.

Graphical Abstract