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Role of biochar surface characteristics in the adsorption of aromatic compounds: pore structure and functional groups
Chinese Chemical Letters ( IF 9.4 ) Pub Date : 2021-05-14 , DOI: 10.1016/j.cclet.2021.04.059
Xue-Fei Tan , Shi-Shu Zhu , Ru-Peng Wang , Yi-Di Chen , Pau-Loke Show , Feng-Fa Zhang , Shih-Hsin Ho

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 the Kow), 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



中文翻译:

生物炭表面特征在芳族化合物吸附中的作用:孔结构和官能团

生物炭(BC)由于易于制备,易获得且具有高度的可持续性,因此被广泛用作缓解基于芳烃的污染物的高效吸附剂。BCs的表面性质通常因其复杂的化学成分和不同的制备过程而有很大差异,并反映在诸如比表面积(SSA),孔体积/大小和表面官能团(SFG)等参数值中。已经广泛报道了SSA和孔体积/孔径对芳族化合物吸附的影响。然而,BC SFGs吸附芳烃的相应机制仍不清楚,因为SFGs的组成通常很复杂且难以确定。为了弥补文献中的这一空白,本综述介绍了有关芳烃吸附机理的新观点。P(的对数ķ),极性表面积和正电荷/负电荷是使用ChemDraw 3D仔细计算的,从而可以推断出SFG和基于芳烃的污染物之间的疏水性/亲水性,电子给体-受体相互作用,H键和静电相互作用凭直觉。这些预测与报道的结果一致,表明可以根据目标芳族化合物的分子量,化学结构和极性设计定制的BC。总体而言,本综述通过揭示SFG与吸附物之间的关系,为预测BC的理化性质提供了新的见识,这可能为制备高效功能性BC吸附芳族化合物提供有用的指导。

更新日期:2021-05-14
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