title: Partitioning of organochlorine pesticides from water to polyethylene passive samplers.
abstract: 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.
authors.affiliation: School of Civil Engineering and Geosciences, Newcastle University, Newcastle upon Tyne NE1 7RU, UK. sarah.hale@ncl.ac.uk
authors.forename: Sarah E
authors.initials: SE
authors.lastname: Hale
authors.forename: Timothy J
authors.initials: TJ
authors.lastname: Martin
authors.forename: Kai-Uwe
authors.initials: KU
authors.lastname: Goss
authors.forename: Hans Peter H
authors.initials: HP
authors.lastname: Arp
authors.forename: David
authors.initials: D
authors.lastname: Werner
mesh_terms: D006843:Hydrocarbons, Chlorinated / Q000737:chemistry*; D010575:Pesticides / Q000737:chemistry*; D020959:Polyethylene / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D006843:Hydrocarbons, Chlorinated; D010575:Pesticides; D014867:Water; D020959:Polyethylene