School of Resources and Environmental Engineering, Anhui University, Hefei 230601, China; Anhui Province Key Laboratory of Wetland Ecosystem Protection and Restoration, Anhui University, Hefei 230601, China; Guizhou Academy of Sciences, Guiyang 550001, China.
School of Resources and Environmental Engineering, Anhui University, Hefei 230601, China; Anhui Province Key Laboratory of Wetland Ecosystem Protection and Restoration, Anhui University, Hefei 230601, China.
J Hazard Mater. 2022 Sep 15;438:129467. doi: 10.1016/j.jhazmat.2022.129467. Epub 2022 Jun 27.
The sesame straw-derived biochar was successfully prepared via alkaline hydrogen peroxide (AHP) pretreatment in this study. Systematic experimental characterizations, 15 relevant batch and column adsorption models, combined with density functional theory (DFT) calculation were used to investigate the performances and micro-mechanisms of Cd adsorption onto biochar. We found AHP-pretreatment could greatly improve the adsorption performance of biochar for Cd. The maximum Cd adsorption capacity of AHP-pretreated biochar (87.13 mg g) was much larger than that of unpretreated biochar. Cd adsorption was mainly dominated by the chemisorption of the homogeneous surface monolayer. The hydroxyl and carboxyl groups on the surface of biochar provided preferential adsorption sites, and liquid film diffusion and intra-particle diffusion were two dominant rate-controlling steps. Our results showed that ion exchange, co-precipitation, surface complexation, and Cd-π interaction were the dominant adsorption mechanisms. Especially, DFT calculations well-identified that lone-pair electrons during complexation and π electrons during coordination were provided by oxygen-containing functional groups and aromatic rings, respectively. The experimental breakthrough curves fitted better with the theoretical value of the BJP model, compared to Thomas, Yoon-Nelson, and EXY models. Overall, our study provides a promising method for Cd removal from wastewater and resource utilization of agricultural wastes.
在这项研究中,通过碱性过氧化氢 (AHP) 预处理成功制备了芝麻秸秆衍生的生物炭。系统的实验表征、15 个相关的批量和柱吸附模型,以及密度泛函理论 (DFT) 计算,用于研究 Cd 在生物炭上吸附的性能和微观机理。我们发现 AHP 预处理可以大大提高生物炭对 Cd 的吸附性能。AHP 预处理生物炭的最大 Cd 吸附容量(87.13 mg g)远大于未预处理生物炭。Cd 的吸附主要由均相表面单层的化学吸附控制。生物炭表面的羟基和羧基基团提供了优先的吸附位,液膜扩散和颗粒内扩散是两个主要的速率控制步骤。我们的结果表明,离子交换、共沉淀、表面络合和 Cd-π 相互作用是主要的吸附机制。特别是,DFT 计算很好地表明,在络合过程中提供孤对电子,在配位过程中提供π 电子,分别来自含氧官能团和芳环。实验穿透曲线与 BJP 模型的理论值拟合更好,而与 Thomas、Yoon-Nelson 和 EXY 模型相比则较差。总的来说,我们的研究为从废水中去除 Cd 和农业废物的资源利用提供了一种很有前途的方法。