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  • Title: Simultaneous quantification of humic acid-water and silanized glass-water partition constants for PCBs, PCDDs and OCDF.
    Author: Schacht VJ, Manning M, Grant SC, Gaus C, Hawker DW.
    Journal: Chemosphere; 2020 Mar; 243():125338. PubMed ID: 31783185.
    Abstract:
    Super-hydrophobic organic contaminants (SHOCs) such as polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins (PCDDs) and octachlorodibenzofuran (OCDF) can sorb to dissolved hydrophobic materials including humic acids (HAs), enhancing their apparent aqueous solubility and potentially resulting in increased groundwater contamination and offsite transport. To manage risks associated with transport of and contamination by SHOCs, modelling approaches incorporating partitioning data, i.e. dissolved organic carbon-water partition constants (KDOC), are necessary. Measurement of KDOC can however be compromised by SHOC sorption to glassware surfaces leading to an overestimation of experimental values resulting in larger KDOC. A method for simultaneous derivation of KDOC and glass-water partition constants (KGW) is described. It involves a mass balance approach combined with HA as a co-solvent at various concentrations and accounts for SHOC losses to silanized glassware. Measured log KDOC values ranged from 5.28 to 7.64 for tetra- to decachlorinated PCBs, 6.67 to 7.93 for tetra- to octachlorinated PCDDs and 8.20 for OCDF. These data were linear functions of log KOW and consistent with relationships reported for more polar compounds. Log KGW (mm3 mm-2) values (1.62 to 4.06 for PCBs, 2.96 to 3.90 for PCDDs, 3.77 for OCDF) were one order of magnitude greater compared to literature PCB borosilicate glass-water partition constants. Techniques such as those presented in this work present simple, versatile means to provide prediction of the SHOC proportion remaining in aqueous solutions after loss to glassware that was inversely related to container surface area/volume ratio and log KOW in our study.
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