Relook on the Linear Free Energy Relationships Describing the Partitioning Behavior of Diverse Chemicals for Polyethylene Water Passive Samplers.

ABSTRACT: Over the past 3 decades, low-density polyethylene (PE) passive sampling devices have been widely used to scout organic chemicals in air, water, sediments, and biotic phases. Experimental partition coefficient data, required to calculate the concentrations in environmental compartments, are not widely available. In this study, we developed and rigorously evaluated linear free energy relationships (LFERs) to predict the partition coefficient between the PE and the water phase (log K _pe-w). Poly-parameter (pp) LFERs based on Abraham solute parameters performed better (root-mean-square error, rmse = 0.333-0.350 log unit) in predicting log K _pe-w compared to the two one-parameter (op) LFERs built on n-hexadecane-water and octanol-water partition coeffi

SUBMITTER: Khawar MI 

PROVIDER: S-EPMC7931192 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature