Thermodynamische Modelle für die Bioverfügbarkeit organischer Chemikalien

In aquatic systems, the bioavailability of chemical contaminants is determined via the physicochemical properties of the compounds and the organic matrices as well as through the milieu parameters of the water. The amount of substance freely dissolved in water yields an approximate characterization of the bioavailable fraction, which can be reduced substantially through the sorption of particulate or dissolved organic matter. For ionogenic compounds, a distinction must be made between the initial substance and dissociated or protonated species which, according to recent results, may also contribute to the bioconcentration found in organisms. The lipophilicity model to estimate bioconcentration factors initially refers only to an estimation of the freely dissolved compound concentration. Analysis of the bioaccumulation of sediment-borne contaminants shows that the uptake mainly occurs via the interstitial water and can be adequately described with the lipophilicity model.