Knowledge about partitioning constants of hydrophobic organic compounds (HOCs) between the polymer and aqueous phases is critical for assessing chemical environmental fate and transport. The conventional experimental method is characterized by large discrepancies in the measured values due to the limited water solubility of HOCs and other associated issues. In the current work, a novel three-phase partitioning system was evaluated to determine accurate low-density polyethylene (LDPE)-water partition coefficients (K_PE-w). By adding sufficient surfactant (Brij 30) to form the micellar pseudo-phase within the polymer/water system, the K_PE-w values were obtained from a combination of two experimentally measured values, that is, the micelle-water partition coefficient (K_mic-w) and the LDPE-micelle partition coefficient (K_PE-mic). The method presented here is capable of shortening the equilibration time to half a month, and avoiding defects of the traditional method with respect to directly measured aqueous phase concentrations. Herein, the K_PE-w values were determined for HOCs with little errors. Meanwhile, based on the 120 experimental K_PE-w data, several in silico models were also developed as valid extrapolation tools to estimate missing or uncertain values. Analysis of the underlying solubility interactions in the nonionic surfactant micelles were investigated, providing additional support for the reliability of the proposed method.

有关聚合物相和水相之间疏水性有机化合物 (HOC) 分配常数的知识对于评估化学环境归宿和传输至关重要。由于 HOC 的水溶性有限和其他相关问题，传统实验方法的特点是测量值存在较大差异。在目前的工作中，评估了一种新型三相分配系统，以确定准确的低密度聚乙烯 (LDPE)-水分配系数 ( K _PE-w )。通过添加足够的表面活性剂 (Brij 30) 在聚合物/水体系中形成胶束假相，K _PE-w值是从两个实验测量值的组合中获得的，即胶束-水分配系数 ( K _mic-w ) 和 LDPE-胶束分配系数 ( K _PE-mic )。这里介绍的方法能够将平衡时间缩短到半个月，并避免了传统方法直接测量水相浓度的缺陷。在此，K _PE-w值是针对 HOC 确定的，误差很小。同时，基于 120 个实验K _PE-w数据，几个在 silico还开发了模型作为有效的外推工具来估计缺失值或不确定值。对非离子表面活性剂胶束中潜在溶解性相互作用的分析进行了研究，为所提出方法的可靠性提供了额外的支持。