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Sorption and Transport of Hydrophobic Organic Chemicals in Aqueous and Mixed Solvent Systems: Model Development and Preliminary Evaluation¹

ABSTRACT

A theoretical approach, based upon the assumption of predominance of solvophobic interactions, was formulated to quantitatively describe the sorption and transport of hydrophohic organic chemicals (HOC) from aqueous and aqueous-organic-solvent mixtures. In the theoretical approach, solvent-sorbate interactions (solubility) are specifically considered in order to predict sorbate-sorbent interactions (sorption). For HOC sorption from a single solvent, the HOC sorption coefficient was shown to increase loglinearly with the hydrocarbonaceous surface area (HSA) of the sorbate. For HOC sorption from aqueous-organic binary solvent mixtures, the sorption coefficient is predicted to decrease exponentially as the fraction of organic cosolvent increases. This is a direct consequence of increased HOC solubility in the binary solvent. Because sorption and mobility of HOC are inversely related, a decrease in sorption coefficient leads to an enhanced HOC mobility as the fraction of organic cosolvent is increased. A preliminary verification of the theory was performed by an analysis of published data for (i) HOC sorption by soils and sediments from water, (ii) HOC retention by reversed-phase chromatographic sorbents during isocratic elution with methanol-water binary solvent mixture, and (iii) HOC mobility on soil-TLC plates eluted with ethanol-water mixtures.

Key Words: solvophobic theory • solubility • waste disposal • molecular surface areas • cosolvent effects

¹ Contribution from the Inst. of Food & Agric. Sci., Univ. of Florida, Gainesville, FL. Approved for publication as Florida Agric. Exp. Stn., Journal Series no. 6185.

² Associate professor, associate professor, and research associate, respectively, Soil Science Dep., Univ. of Florida, Gainesville, FL 32611.

³ Formerly lab. technologist, Soil Science Dep.; presently graduate assistant, Physics Dep., Univ. of Florida, Gainesville, FL 32611.

Received for publication May 4, 1984.

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