Omenat-Morán Delia, Durán-Valle Carlos J, Martínez-Cañas Manuel A
Instituto del Corcho, la Madera y el Carbón Vegetal (CICYTEX), Pol. Ind. El Prado, c/Pamplona s/n, 06800 Mérida, Spain.
IACYS, Universidad de Extremadura, Avda. de Elvas, s/n, 06006 Badajoz, Spain.
Molecules. 2024 Oct 18;29(20):4941. doi: 10.3390/molecules29204941.
Activated carbons were prepared from kenaf ( L.). Carbonization was carried out at 600 °C for 2 h, and activation was performed using air at 600 °C and using CO at 750 °C. The activated carbons obtained were treated with HNO and HSO. The samples were characterized by their chemical and physical structure. The activated carbons obtained were mainly macroporous, and their structure underwent major changes with the activation method and acid treatment. Activated carbons were alkaline and acid-treated carbons were neutral. They were used for phenol adsorption and a kinetic and mechanistic study of adsorption was carried out. The fit to the pseudo-second order and Elovich models was predominant. The rate-limiting step of the process was determined to be diffusion within the pores, as the experimental data fit the Bangham model. DFT simulation showed that the preferred adsorption position involves π-π stacking and that oxidation enhances this interaction. Furthermore, the simulation showed that the interaction of phenol with oxygenated functional groups depends on the type of functional group.
活性炭由洋麻（L.）制备而成。碳化在600℃下进行2小时，活化分别在600℃下使用空气以及在750℃下使用一氧化碳进行。所获得的活性炭用硝酸和硫酸处理。通过其化学和物理结构对样品进行表征。所获得的活性炭主要为大孔结构，并且其结构随活化方法和酸处理发生了重大变化。活性炭呈碱性，而经酸处理的炭呈中性。它们被用于苯酚吸附，并对吸附进行了动力学和机理研究。与伪二级模型和埃洛维奇模型的拟合占主导地位。该过程的限速步骤被确定为孔内扩散，因为实验数据符合班汉姆模型。密度泛函理论模拟表明，优先吸附位置涉及π-π堆积，并且氧化增强了这种相互作用。此外，模拟表明苯酚与含氧官能团的相互作用取决于官能团的类型。
