School of Civil Engineering and Geosciences, Newcastle University, Newcastle upon Tyne NE1 7RU, UK.
Environ Pollut. 2010 Jul;158(7):2511-7. doi: 10.1016/j.envpol.2010.03.010. Epub 2010 Apr 15.
The mass transfer rates and equilibrium partitioning behaviour of 14 diverse organochlorine pesticides (OCP) between water and polyethylene (PE) passive samplers, cut from custom made PE sheets and commercial polyethylene plastic bags, were quantified. Overall mass transfer coefficients, k(O), estimated PE membrane diffusion coefficients, D(PE), and PE-water partitioning coefficients, K(PE-water,) are reported. In addition, the partitioning of three polycyclic aromatic hydrocarbons (PAHs) from water to PE is quantified and compared with literature values. K(PE-water) values agreed mostly within a factor of two for both passive samplers and also with literature values for the reference PAHs. As PE is expected to exhibit similar sorption behaviour to long-chain alkanes, PE-water partitioning coefficients were compared to hexadecane-water partitioning coefficients estimated with the SPARC online calculator, COSMOtherm and a polyparameter linear free energy relationship based on the Abraham approach. The best correlation for all compounds tested was with COSMOtherm estimated hexadecane-water partitioning coefficients.
测定了 14 种不同的有机氯农药(OCP)在水和聚乙烯(PE)被动采样器之间的传质速率和平衡分配行为,这些采样器由定制的 PE 片和商用聚乙烯塑料袋切割而成。报告了总体传质系数 k(O)、估计的 PE 膜扩散系数 D(PE)和 PE-水分配系数 K(PE-水)。此外,还定量测定了三种多环芳烃(PAH)从水中到 PE 的分配情况,并与文献值进行了比较。对于两种被动采样器,K(PE-水)值在两个数量级内大多一致,与参考 PAH 的文献值也一致。由于 PE 预计会表现出与长链烷烃相似的吸附行为,因此将 PE-水分配系数与使用 SPARC 在线计算器、COSMOtherm 和基于 Abraham 方法的多参数线性自由能关系估计的十六烷-水分配系数进行了比较。对于所有测试的化合物,与 COSMOtherm 估计的十六烷-水分配系数的相关性最好。