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Congener specific organic carbon normalized soil and sediment-water partitioning coefficients for the C1 through C8 perfluorinated alkylsulfonic and alkylcarboxylic acids

机译:C1至C8全氟代烷基磺酸和烷基羧酸的同类比有机碳归一化土壤和沉积物-水分配系数

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摘要

Organic carbon normalized soil and sediment-water partitioning (Koc) coefficients were estimated for all C1 through C8 perfluorinated alkylsulfonic acid (PFSA) and alkylcarboxylic acids (PFCA) congeners. The limited experimental Koc dataset for the straight chain C7 through C10 PFCAs and C8 and C10 PFSAs was correlated to SPARC and ALOGPS computationally estimated octanol-water partitioning constants and used to predict Koc values for both branched and linear C1 through C8 isomers. All branched and linear congeners in this homologue range are expected to have Koc values>1, leading to their accumulation in organic matter on sediments and soils, retardation during ground and pore water flow, and the preferential association with dissolved organic matter in aquatic systems. Both increasing perfluoroalkyl chain length and linearity increase Koc values with substantial intra- and inter-homologue variation and interhomologue mixing. Variability in Koc values among the PFCA and PFSA congeners will likely lead to an enrichment of more linear and longer chain isomers in organic matter fractions, resulting in aqueous phases fractionated towards shorter chain branched congeners. The expected magnitude of fractionation will require inclusion in source apportionment models and risk assessments. A comparison of representative established quantitative structure property relationships for estimated Koc values from octanol-water partitioning constants suggests that equilibrium partitioning frameworks may be applicable towards modeling PFCA and PFSA environmental fate processes and warrants further study using other partitioning coefficients for which suitable experimental data is available.
机译:估算了所有C1至C8全氟烷基磺酸(PFSA)和烷基羧酸(PFCA)同系物的有机碳归一化土壤和沉积物-水分配(Koc)系数。直链C7至C10 PFCA,C8和C10 PFSA的有限实验Koc数据集与SPARC和ALOGPS计算得出的辛醇-水分配常数相关联,可用于预测支链和线性C1至C8异构体的Koc值。预期在此同源范围内的所有分支和线性同源物的Koc值> 1,从而导致它们在沉积物和土壤中的有机质中积累,在地下水和孔隙水流动过程中的阻滞以及与水生系统中溶解性有机质的优先关联。全氟烷基链长度的增加和线性的增加都增加了Koc值,其中存在大量的同源内和同源间变异以及同源间混合。 PFCA和PFSA同系物之间Koc值的变化可能会导致有机物馏分中更多的线性和较长链异构体的富集,导致水相向较短的支链同系物分馏。预期的分级规模将需要包括在源分配模型和风险评估中。根据辛醇-水分配常数估算的Koc值建立的代表性定量结构性质关系的比较表明,平衡分配框架可能适用于对PFCA和PFSA环境归宿过程进行建模,并需要使用其他分配系数来进行进一步研究,如果有适当的实验数据,则可以使用。

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    Sierra Rayne; Kaya Forest;

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  • 年度 2009
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  • 原文格式 PDF
  • 正文语种 {"code":"en","name":"English","id":9}
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