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首页> 外文期刊>Environmental Science & Technology >Equilibrium Partition Coefficients of Diverse Polar and Nonpolar Organic Compounds to Polyoxymethylene (POM) Passive Sampling Devices
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Equilibrium Partition Coefficients of Diverse Polar and Nonpolar Organic Compounds to Polyoxymethylene (POM) Passive Sampling Devices

机译：极性和非极性有机化合物与聚甲醛（POM）无源采样设备的平衡分配系数

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Equilibrium passive samplers (EPS) based on polyoxymethylene (POM) are increasingly used for determining freely dissolved water and pore water concentrations of hydrophobic organic compounds in the environment Unlike other polymeric materials commonly used as EPS, namely poly(dimethylsiloxane) (PDMS) and low-density polyethylene (PE), POM is a polar polymer, containing repeating H-bond accepting ether units. Thus, POM is expected to be a more sensitive EPS than PDMS and PE for polar, H-bond donating compounds, such as many hormones, Pharmaceuticals, and biocides. To better characterize the sorpbon capacity of POM for diverse polar and apolar compounds, equilibrium POM-water partition coefficients, K_(POM/w), were measured for 56 compounds, including several classes of polar compounds and organochlorine pesticides. Using this data set and literature data, various POM-partitioning models were calibrated and validated for their ability to predict K_(POM/w). The best performing models tested were an Abraham descriptor based polyparameter linear free energy relationship (PP-LFER) (SD = 0.24 log units) and COSMOthermX (SD = 0.37 log units). The performance of SPARC (SD = 0.61 log units) and log-log correlations with K_(ow) (SD = 0.49 log units) were lower. A comparison with PDMS and PE confirmed expectations that POM exhibits a higher sensitivity for H-bond donating polar compounds than PDMS and PE do for these compounds. These findings expand the domain of chemicals for which POM can be used as an EPS sampler, and demonstrate that POM is as suitable a passive sampler for many polar organic compounds as it is for hydrophobic organic compounds.
机译：基于聚甲醛（POM）的平衡无源采样器（EPS）越来越多地用于确定环境中疏水性有机化合物的自由溶解水和孔隙水浓度，与通常用作EPS的其他聚合材料不同，即聚（二甲基硅氧烷）（PDMS）和低-密度聚乙烯（PE），POM是极性聚合物，包含重复的H键接受醚单元。因此，对于极性，氢键捐赠化合物（例如许多激素，药物和杀菌剂），POM有望比PDMS和PE更为灵敏。为了更好地表征POM对各种极性和非极性化合物的透支吸收能力，对56种化合物（包括几类极性化合物和有机氯农药）测量了平衡POM-水分配系数K_（POM / w）。使用该数据集和文献数据，对各种POM分区模型进行了校准和验证，以预测K_（POM / w）的能力。测试的最佳性能模型是基于亚伯拉罕描述符的多参数线性自由能关系（PP-LFER）（SD = 0.24 log单位）和COSMOthermX（SD = 0.37 log单位）。 SPARC的性能（SD = 0.61对数单位）和与K_（ow）的对数对数相关性（SD = 0.49对数单位）较低。与PDMS和PE的比较证实了人们的期望，即POM对氢键捐赠极性化合物表现出比PDMS和PE对这些化合物更高的敏感性。这些发现扩展了POM可用作EPS采样器的化学品的领域，并证明POM与疏水性有机化合物一样，对于许多极性有机化合物都是适用的无源采样器。

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  • 来源
    《Environmental Science & Technology》 |2011年第23期|p.10124-10132|共9页
  • 作者

    Satoshi Endo; Sarah E. Hale; Kai-Uwe Goss; Hans Peter H. Arp;

  • 作者单位

    Department of Analytical Environmental Chemistry, UFZ - Helmholtz Centre for Environmental Research, Permoserstrasse 15, D-04318 Leipzig, Germany;

    Department of Environmental Engineering, Norwegian Geotechnical Institute (NGI), P.O. Box 3930, Ulleval Stadion, N-0806, Oslo, Norway;

    Department of Analytical Environmental Chemistry, UFZ - Helmholtz Centre for Environmental Research, Permoserstrasse 15, D-04318 Leipzig, Germany,Institute of Chemistry, University of Halle-Wittenberg, Kurt-Mothes-Strasse 2, D-06120 Halle, Germany;

    Department of Environmental Engineering, Norwegian Geotechnical Institute (NGI), P.O. Box 3930, Ulleval Stadion, N-0806, Oslo, Norway;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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