Role of Mineral–Organic Interactions in PFAS Retention by AFFF-Impacted Soil,Environmental Science & Technology

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Role of Mineral–Organic Interactions in PFAS Retention by AFFF-Impacted Soil
Environmental Science & Technology ( IF 10.8 ) Pub Date : 2023-03-22 , DOI: 10.1021/acs.est.2c08806
Thomas Wanzek ₁ , John F Stults ₂ , Mark G Johnson ₃ , Jennifer A Field ₄ , Markus Kleber ₁

Affiliation

A comprehensive, generalized approach to predict the retention of per- and polyfluoroalkyl substances (PFAS) from aqueous film-forming foam (AFFF) by a soil matrix as a function of PFAS molecular and soil physiochemical properties was developed. An AFFF with 34 major PFAS (12 anions and 22 zwitterions) was added to uncontaminated soil in one-dimensional saturated column experiments and PFAS mass retained was measured. PFAS mass retention was described using an exhaustive statistical approach to generate a poly-parameter quantitative structure–property relationship (ppQSPR). The relevant predictive properties were PFAS molar mass, mass fluorine, number of nitrogens in the PFAS molecule, poorly crystalline Fe oxides, organic carbon, and specific (BET-N₂) surface area. The retention of anionic PFAS was nearly independent of soil properties and largely a function of molecular hydrophobicity, with the size of the fluorinated side chain as the main predictor. Retention of nitrogen-containing zwitterionic PFAS was related to poorly crystalline metal oxides and organic carbon content. Knowledge of the extent to which a suite of PFAS may respond to variations in soil matrix properties, as developed here, paves the way for the development of reactive transport algorithms with the ability to capture PFAS dynamics in source zones over extended time frames.

中文翻译：

矿物-有机相互作用在 AFFF 影响土壤保留 PFAS 中的作用

开发了一种全面、通用的方法来预测土壤基质对水成膜泡沫 (AFFF) 中全氟烷基物质和多氟烷基物质 (PFAS) 的保留，作为 PFAS 分子和土壤理化性质的函数。在一维饱和柱实验中，将含有 34 种主要 PFAS（12 种阴离子和 22 种两性离子）的 AFFF 添加到未受污染的土壤中，并测量保留的 PFAS 质量。使用详尽的统计方法来描述 PFAS 质量保留，以生成多参数定量结构-性质关系 (ppQSPR)。相关的预测特性是 PFAS 摩尔质量、氟质量、PFAS 分子中氮的数量、结晶不良的 Fe 氧化物、有机碳和比表面积 (BET-N ₂ )。阴离子 PFAS 的保留几乎与土壤性质无关，很大程度上取决于分子疏水性，氟化侧链的大小是主要预测因素。含氮两性离子 PFAS 的保留与结晶不良的金属氧化物和有机碳含量有关。本文开发的一套 PFAS 对土壤基质特性变化的响应程度的知识，为开发反应性传输算法铺平了道路，该算法能够在较长的时间范围内捕获源区中的 PFAS 动态。

更新日期：2023-03-22

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