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• W2068108283 abstract "The relationship between the overall octanol-water partition coefficient of a mixture of related chemical species, D(ow), and the octanol-water partition coefficients of its components, (K(ow))i, is explored. One form of the relationship (model 1) is generally applicable but relies on definition of aqueous phase speciation at equilibrium with octanol. An alternative form of the relationship (model 2) circumvents this requirement but assumes that related species are conserved during the partitioning process and is explicitly dependent on the water to octanol volume ratio, Vw/Vo. The potential applications and limitations of each model for defining the hydrophobic characteristics of chemical species in natural waters are examined in the light of experimental partition results for dissolved Cu and Pb in river waters. Given the general difficulties in accurate speciation modeling of trace metals in natural samples, model 1 was only able to estimate a K(ow) (typically in the range 0.03-0.3) for a computed organically complexed fraction of metal (generally > 90%). However, by conducting partition isotherms as a function of Vw/Vo and, because of the buffering capacity of natural waters, by treating a sample as two distinct hydrophilic and hydrophobic pools, model 2 was able to estimate both the abundance and K(ow) of a more specific group of species. Parameter values derived from the latter approach indicated that river waters comprise a relatively small pool (about 4-20%) of metal whose octanol-water partitioning is in the region of 15-150. Given that the free ion activity of strongly binding metals in natural waters is extremely small, the hydrophobic fraction may, in many cases, representthe most biologically and environmentally significant component of metal. Accordingly, the experimental and modeling approaches described herein could be of great significance to an improved understanding of the fate and impacts of trace metals in the aquatic environment." @default.
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• W2068108283 date "2005-10-07" @default.
• W2068108283 modified "2023-09-27" @default.
• W2068108283 title "On the Relationship between <i>D</i>_o_w and <i>K</i>_ow in Natural Waters" @default.
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• W2068108283 doi "https://doi.org/10.1021/es050135a" @default.
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