Molecular implications of hydrophobic organic partitioning theory

Recent normal phase silica followed by reverse phase XAD separation has led to the identification of several flavonoid and condensed tannin structures in Suwannee River Fulvic Acid (SFRA) (Leenheer, J. A., Rostad, C. (2004) Scientific Investigations Report 2004-5276, U.S. Geological Survey). We have used the molecular properties of one of these structures to define ideal behavior during partitioning of PAHs assuming that these structures function as an immiscible liquid solvent bound to finely dispersed mineral particles. Existing data for the partitioning of PAHs into NOM compared well to this ideal behavior under Raoult/Henry and Flory-Huggins treatments, and activity coefficients of pyrene in the hypothetical NOM phase and the free energy of transfer were estimated. If experimental data on partitioning of PAHs into synthesized samples of these structures is similar to NOM uptake data, it will be attractive to assume that, a) much smaller components of the NOM complex than suggested by gross molecular weight may be important in environmental properties such as solubility enhancement, and b) the effective molar volumes within the NOM complex responsible for solubility enhancement may be solute, or solute class dependent.