简单改性生物炭增强去除多氟烷基物质：吸附性能和理论计算,ACS ES&T Water

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简单改性生物炭增强去除多氟烷基物质：吸附性能和理论计算
ACS ES&T Water ( IF 4.8 ) Pub Date : 2023-02-13 , DOI: 10.1021/acsestwater.2c00597
Yinjie Zhang _{1,

2} , Xiao Tan ₁ , Rui Lu ₂ , Yiming Tang ₁ , Hantong Qie ₁ , Ziyi Huang ₁ , Jiashun Zhao ₃ , Jun Cui ₁ , Wenjie Yang ₂ , Aijun Lin ₁

Affiliation

为了应对全球水生环境中普遍存在的多氟烷基物质（PFAS）污染，本研究制备了一种性能令人满意的污泥酸改性生物炭吸附剂。该吸附剂对全氟辛烷磺酸（PFOS）和全氟辛酸（PFOA）的理论最大吸附量测定为72.17和45.88 mg·g ^–1，分别。本研究首次对生物炭表面官能团吸附PFOS和PFOA进行了理论计算，并结合实验结果和冗余分析推断了吸附过程的机理。吸附机理主要由以下三个方面组成：（I）带正电荷的生物炭与去质子化的PFAS之间的静电相互作用；(II) PFAS 的阴离子种类与官能团之间的氢键；(III) 长链疏水性 PFAS 与生物炭之间的疏水相互作用。静电相互作用在酸性介质下的三种主要吸附机制中起着重要作用。同时，不同的官能团对PFAS具有不同的吸附能，其中C=O的吸附能最高。

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Enhanced Removal of Polyfluoroalkyl Substances by Simple Modified Biochar: Adsorption Performance and Theoretical Calculation

To cope with the widespread polyfluoroalkyl substance (PFAS) pollution in the global aquatic environment, this study prepared an acid-modified biochar adsorbent derived from sludge with satisfactory performance. The theoretical maximum adsorption capacities of the adsorbent for perfluorooctane sulfonic acid (PFOS) and perfluorooctanoic acid (PFOA) were determined to be 72.17 and 45.88 mg·g^–1, respectively. The theoretical calculation of the adsorption of biochar surface functional groups with PFOS and PFOA was first performed in this study, and the mechanism of the adsorption process was inferred with a combination of experimental results and redundancy analysis. The adsorption mechanism is composed mainly of the following three aspects: (I) electrostatic interaction between the positively charged biochar and the deprotonated PFAS; (II) hydrogen bonding between anionic species of PFAS and functional groups; and (III) hydrophobic interaction between long-chain hydrophobic PFAS and biochar. Electrostatic interaction plays a major role in the three main adsorption mechanisms under acidic media. Meanwhile, different functional groups have different adsorption energies for PFAS, and C═O has the highest adsorption energy. The findings in this work could provide great insights into the adsorption of PFAS on modified biochar as an environmentally friendly adsorbent to promote resource reuse, improve water quality, and ensure human health.

更新日期：2023-02-13

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