Role of biochar surface characteristics in the adsorption of aromatic compounds: pore structure and functional groups
Role of biochar surface characteristics in the adsorption of aromatic compounds: pore structure and functional groups
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DOI：
10.1016/j.cclet.2021.04.059
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发表时间：
2021-05
影响因子：
9.1
通讯作者：
Xuefei Tan;Shibei Zhu;Rupeng Wang;Yi-di Chen;P. Show;Fengmei Zhang;Shih‐Hsin Ho
中科院分区：
文献类型：
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作者：
Xuefei Tan;Shibei Zhu;Rupeng Wang;Yi-di Chen;P. Show;Fengmei Zhang;Shih‐Hsin Ho
生物炭（BC）由于其易于制备、广泛可用性和高可持续性而被广泛用于缓解芳烃类污染物的高效吸附剂。由于bc的化学成分复杂，制备工艺不同，其表面性能差异很大，反映在比表面积（SSA）、孔体积/大小、表面官能团（SFGs）等参数的值上。孔径比和孔径对芳烃吸附的影响已被广泛报道。然而，由于其组成复杂且难以确定，BC型SFGs对芳烃的吸附机理尚不清楚。为了弥补这一文献空白，本文介绍了芳烃吸附机理的新视角。通过收集之前报道的结果，使用ChemDraw 3D仔细计算参数logP（theKow的对数）、极性表面积和正负电荷，从而直观地推断SFGs与芳烃污染物之间的疏水性/亲水性、电子供体-受体相互作用、氢键和静电相互作用。这些预测结果与已有报道的结果一致，表明可以根据目标芳烃的分子量、化学结构和极性来设计定制的bc。综上所述，本文通过揭示SFGs与吸附剂之间的关系，为预测BCs的物理化学性质提供了新的思路，为制备高效、功能化的BCs吸附芳烃提供了有益的指导。
Biochar (BC) are widely used as highly efficient adsorbents to alleviate aromatics-based contaminants due to their ease of preparation, wide availability, and high sustainability. The surface properties of BCs usually vary greatly due to their complex chemical constituents and different preparation processes and are reflected in the values of parameters such as the specific surface area (SSA), pore volume/size, and surface functional groups (SFGs). The effects of SSA and pore volume/size on the adsorption of aromatics have been widely reported. However, the corresponding mechanisms of BC SFGs towards aromatics adsorption remains unclear as the compositions of the SFGs are usually complex and hard to determine. To address in this gap in the literature, this review introduces a new perspective on the adsorption mechanisms of aromatics. Through collecting previously-reported results, the parameters logP(logarithm of theKow), polar surface area, and the positive/negative charges were carefully calculated using ChemDraw 3D, which allowed the hydrophobicity/hydrophilicity properties, electron donor-acceptor interactions, H-bonding, and electrostatic interactions between SFGs and aromatics-based contaminates to be inferred intuitively. These predictions were consistent with the reported results and showed that tailor-made BCs can be designed according to the molecular weights, chemical structures, and polarities of the target aromatics. Overall, this review provides new insight into predicting the physicochemical properties of BCs through revealing the relationship between SFGs and adsorbates, which may provide useful guidance for the preparing of highly-efficient, functional BCs for the adsorption of aromatics.