Environmental Science Department, School of Earth and Environmental Sciences, University of Arizona, Tucson, AZ 85721, USA; Hydrology and Atmospheric Sciences Department, School of Earth and Environmental Sciences, University of Arizona, Tucson, AZ 85721, USA.
Environ Pollut. 2019 Nov;254(Pt B):113102. doi: 10.1016/j.envpol.2019.113102. Epub 2019 Aug 26.
Per- and poly-fluoroalkyl substances (PFAS) have attracted considerable concern due to their widespread occurrence in the environment and potential human health risks. Given the complexity of PFAS retention in multi-phase systems, it would be useful for characterization and modeling purposes to be able to readily determine the relative significance of the individual retention processes for a given PFAS and set of subsurface conditions. A quantitative-structure/property-relationship (QSPR) analysis was conducted for adsorption of PFAS by soils, sediments, and granular activated carbon (GAC), and integrated with a prior analysis conducted for adsorption to air-water and oil-water interfaces. The results demonstrated that a model employing molar volume provided reasonable predictions of organic-carbon normalized soil/sediment adsorption coefficients (log K), GAC-adsorption coefficients (log K), and air/oil-water interfacial adsorption coefficients (log K) for PFAS. The relative magnitudes of solid-water and air/oil-water interfacial adsorption were compared as a function of controlling variables. A nomograph was developed that provides a first-order determination of the relative significance of these interfacial adsorption processes in multi-phase porous-media systems.
全氟和多氟烷基物质（PFAS）因其在环境中的广泛存在和潜在的人类健康风险而引起了相当大的关注。鉴于 PFAS 在多相系统中的保留的复杂性，能够方便地确定给定 PFAS 和一组地下条件下各个保留过程的相对重要性，这对于特征描述和建模目的将是有用的。对土壤、沉积物和颗粒活性炭（GAC）对 PFAS 的吸附进行了定量结构/性质关系（QSPR）分析，并与先前对气-水和油-水界面吸附的分析进行了整合。结果表明，采用摩尔体积的模型可以合理地预测有机碳归一化土壤/沉积物吸附系数（log K）、GAC 吸附系数（log K）和 PFAS 的气/油水界面吸附系数（log K）。作为控制变量的函数，比较了固-水和气/油水界面吸附的相对大小。开发了一个列线图，可初步确定这些界面吸附过程在多相多孔介质系统中的相对重要性。
