Equilibrium expression organic chemical distribution

Distribution of organic chemicals among environmental compartments can be defined in terms of simple equilibrium expressions. Partition coefficients between water and air, water and soil, and water and biota can be combined to construct model environments which can provide a framework for preliminary evaluation of expected environmental behavior. This approach is particularly useful when little data is available since partition coefficients can be estimated with reasonable accuracy from correlations between properties. In addition to identifying those environmental compartments in which a chemical is likely to reside, which can aid in directing future research, these types of models can provide a base for more elaborate kinetic models. 

In all of these cases, the structure of the organic sorbate, the composition of the surface, and the conditions of the vapor or solution exchanging with the solid must be considered. However, it is important to note that with some experience in thinking about the organic chemicals and environmental situation involved, we can usually anticipate which one or two sorption mechanisms will predominate. For example, in Chapter 9 we wrote an expression reflecting several simultaneously active sorption mechanisms, each with their own equilibrium descriptor, to estimate an overall solid-water distribution coefficient for cases of interest (Eq. 9-16) ... 

The opening chapter An introduction to modelling of pollutants in the environment by Trevor M. Letcher demonstrates convincingly that equilibrium concepts and simple models lead to realistic predictions of, for example, the concentration of a polychlorinated biphenyl in the fishes of the St. Lawrence River. Relative solubilities expressed by octanol-water and air-water partition coefficients play a crucial role for estimating the distribution of chemicals in the environment. This is pointed out in the introductory chapter as well as in others such as Estimation of volatilization of organic chemicals from soil by Epaminondas Voutsas. 

The interfacial chemical reactions are considered fast enough to reach equilibrium instantaneously." Thus, the species concentration at the organic-aqueous interfaces is obtained from the expressions of the equilibrium parameters or distribution coefficients of the extraction and BEX reactions (included in Figure 29.3) described by a simple mass action law as follows ... 

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