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30种全氟和多氟烷基物质(PFAS)混合物在生物炭、粘土、纳米颗粒和聚合物衍生工程吸附剂上的比较固定化:基于机器学习对碳链长度和去除机制的见解

Comparative immobilization of 30 PFAS mixtures onto biochar, clay, nanoparticle, and polymer derived engineered adsorbents: Machine learning insights into carbon chain length and removal mechanism.

作者信息

Hassan Masud, Naidu Ravi, Qi Fangjie, Wang Bing, Wang Liang, Asadi Srinivasulu, Deb Amal Kanti, Du Jianhua, Liu Yanju

机构信息

College of Resources and Environmental Engineering, Guizhou University, Guiyang, Guizhou 550025, China; Global Centre for Environmental Remediation, College of Engineering, Science and Environment, University of Newcastle, Callaghan, NSW 2308, Australia; crc for Contamination Assessment and Remediation of the Environment (crcCARE), Callaghan, NSW 2308, Australia.

Global Centre for Environmental Remediation, College of Engineering, Science and Environment, University of Newcastle, Callaghan, NSW 2308, Australia; crc for Contamination Assessment and Remediation of the Environment (crcCARE), Callaghan, NSW 2308, Australia.

出版信息

J Hazard Mater. 2025 Jun 15;490:137742. doi: 10.1016/j.jhazmat.2025.137742. Epub 2025 Feb 25.

DOI:10.1016/j.jhazmat.2025.137742
PMID:40043395
Abstract

Per- and polyfluoroalkyl substances (PFAS) are a group of fluorinated chemicals that cause potential risk in PFAS-impacted soil and water. The adsorption efficiency of 30 PFAS mixtures using different adsorbents in environmentally relevant concentrations was investigated. Different meso/microporous designed adsorbents (n = 7) were used for PFAS adsorption and their interfacial interactions. The adsorbents were tested for their ability to remove PFAS mixtures, including perfluoroalkyl sulfonic acids (PFSAs, n = 7, C4-C10), perfluoroalkyl carboxylic acids (PFCAs, n = 11, C4-C14), fluorotelomer sulfonic acids (FTSs, n = 4), perfluoroalkane sulfonamido acetic acids (FASAAs, n = 3, C8), perfluoroalkane sulfonamides (FASAs, n = 3, C8) and perfluoroalkane sulfonamidoethanols (FASEs, n = 2, C8). The overall removal rate of 30 PFAS was recorded as 86.20-89.29 %, 87.63-90.33 %, and 67.07-93.61 % for microporous biochar/modified biochar, halloysite nanoclays, and mesoporous polymer composites-based adsorbents, respectively. The presence of sugarcane bagasse-derived biochar, iron nanoparticles, and β-cyclodextrin in the composite adsorbents enhances the sorption of PFAS. Higher adsorption efficiency was observed for long-chain PFCAs, PFSAs, FTSs, FASAAs, FASAs, and FASEs, whereas, complete removal of short-chain PFCAs, PFSAs, and FTSs is still challenging by using all the studied adsorbents. The carbon chain length and head groups of PFAS play a vital role in removing PFAS. The correlation coefficient (R) values between removal rate and carbon chain length, for PFCAs (n = 11), and PFSAs (n = 7) were found as 0.73, and 0.31 respectively. Appropriate machine learning tools including efficient linear least squares, Gaussian process regression, and stepwise linear regression, were applied to fit experimental data and assess model accuracy.

摘要

全氟和多氟烷基物质(PFAS)是一类含氟化学品,会在受PFAS污染的土壤和水中造成潜在风险。研究了在环境相关浓度下使用不同吸附剂对30种PFAS混合物的吸附效率。使用了不同的中孔/微孔设计吸附剂(n = 7)进行PFAS吸附及其界面相互作用研究。测试了这些吸附剂去除PFAS混合物的能力,这些混合物包括全氟烷基磺酸(PFSA,n = 7,C4 - C10)、全氟烷基羧酸(PFCA,n = 11,C4 - C14)、氟调聚物磺酸(FTS,n = 4)、全氟烷磺酰胺基乙酸(FASAA,n = 3,C8)、全氟烷磺酰胺(FASA,n = 3,C8)和全氟烷磺酰胺基乙醇(FASE,n = 2,C8)。对于微孔生物炭/改性生物炭、埃洛石纳米黏土和介孔聚合物复合材料基吸附剂,30种PFAS的总去除率分别记录为86.20 - 89.29%、87.63 - 90.33%和67.07 - 93.61%。复合吸附剂中甘蔗渣衍生生物炭、铁纳米颗粒和β - 环糊精的存在增强了对PFAS的吸附。对于长链PFCA、PFSA、FTS、FASAA、FASA和FASE观察到更高的吸附效率,然而,使用所有研究的吸附剂完全去除短链PFCA、PFSA和FTS仍然具有挑战性。PFAS的碳链长度和头部基团在去除PFAS方面起着至关重要的作用。发现PFCA(n = 11)和PFSA(n = 7)的去除率与碳链长度之间的相关系数(R)值分别为0.73和0.31。应用了包括高效线性最小二乘法、高斯过程回归和逐步线性回归在内的适当机器学习工具来拟合实验数据并评估模型准确性。

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