Smedes Foppe, Geertsma Rinze W, van der Zande Ton, Booij Kees
Ministry of Transport, Public Works and Water Management, National Institute for Coastal and Marine Management/RIKZ, AE Haren, The Netherlands.
Environ Sci Technol. 2009 Sep 15;43(18):7047-54. doi: 10.1021/es9009376.
Polymer-water partition coefficients (Kpw) of hexachlorobenzene, 41 polychlorinated biphenyls (PCBs), and 26 polyaromatic hydrocarbons (PAHs) were determined for low-density polyethylene (LDPE) and five different silicone rubbers. Partition coefficients were determined in ultra pure water and in a range of methanol-water mixtures. Different cosolvent models for the effect of methanol concentration on the polymer-mixture partition coefficient (Kpm) were used to validate the Kpw in pure water. Linear regression of logKpm against the mole fraction (x) methanol over range 0 < x < 0.3 yielded the best results. The obtained logKpws were best described by a correlation with molecular weight, for PCBs in combination with the fraction of chlorine atoms in the meta and para positions (standard deviations of approximately 0.08 log units). Correlations with logKow were less good (standard deviations of approximately 0.21 log units), partly as a result of uncertainties in the logKow estimates that were used. Similar Kpws were found for different batches of silicone rubber from the same supplier. Differences in logKpws for silicone rubbers obtained from different suppliers ranged from 0.16-0.58.
测定了六氯苯、41种多氯联苯（PCBs）和26种多环芳烃（PAHs）在低密度聚乙烯（LDPE）和五种不同硅橡胶中的聚合物 - 水分配系数（Kpw）。分配系数是在超纯水中以及一系列甲醇 - 水混合物中测定的。使用不同的共溶剂模型来研究甲醇浓度对聚合物 - 混合物分配系数（Kpm）的影响，从而验证纯水中的Kpw。在0 < x < 0.3范围内，logKpm对甲醇摩尔分数（x）进行线性回归得到了最佳结果。所获得的logKpw最好通过与分子量的相关性来描述，对于PCBs，还结合了间位和对位氯原子的比例（标准偏差约为0.08对数单位）。与logKow的相关性较差（标准偏差约为0.21对数单位），部分原因是所使用的logKow估计值存在不确定性。从同一供应商处获得的不同批次硅橡胶的Kpw相似。从不同供应商处获得的硅橡胶的logKpw差异范围为0.16 - 0.58。
