Critical review of low-density polyethylene's partitioning and diffusion coefficients for trace organic contaminants and implications for its use as a passive sampler.

Polyethylene (PE)-water equilibrium partitioning constants, K(PEw), were reviewed for trace hydrophobic organic contaminants (HOCs). Relative standard deviations were <30% for phenanthrene, anthracene, fluoranthene, and pyrene implying excellent reproducibility of K(PEw) across laboratories and PE sources. Averaged K(PEw) values of various HOCs were best correlated with aqueous solubility, logC(w)(sat)(L): logK(PEw) = -0.99(±0.029)logC(w)(sat)(L) + 2.39(±0.096) (r(2) = 0.92, SE = 0.35, n = 100). For 80% of analytes, this equation predicted logK(PEw) within a factor of 2. A first-order estimation of K(PEw) can be obtained assuming constant solubility of the compounds in the PE, such that the variation in C(w)(sat)(L) determines the differences in K(PEw). For PE samplers, K(PEw) values do not change with the thickness of the PE sampler. The influence of temperature on K(PEw) seems dominated by solubility-changes of the compound in water, not in PE. The effect of salt is rather well understood, using a Schetschenow-style approach. The air-PE partitioning constant, K(PEa), can be approximated as the ratio of K(PEw)/K(aw) (the air-water partitioning constant). A critical review of diffusivities in PE, D(PE), suggests that best results are obtained when using the film-stacking method. A good correlation is then found between D(PE) and molar volume, V(m) (Ǻ(3)/mol): logD(PE) (m(2)/s) = 0.0145(±0.001)V(m) + 10.1(±0.20) (r(2) = 0.76, SE = 0.24, n = 74).