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Main Title Prediction of the Solubility of Hydrophobic Compounds in Nonideal Solvent Mixtures.
Author Pinal, R. ; Lee, L. S. ; Rao., P. S. C. ;
CORP Author ROCOM, Montclair, NJ. ;Florida Univ., Gainesville. Dept. of Soil Science.;Robert S. Kerr Environmental Research Lab., Ada, OK.
Publisher c1991
Year Published 1991
Report Number EPA-R-814512; EPA/600/J-92/027;
Stock Number PB92-143999
Additional Subjects Aromatic polycyclic hydrocarbons ; Solubility ; Organic solvents ; Mixtures ; Sorption ; Gibbs free energy ; Mathematical models ; Reprints ; Hydrophobic organic chemicals ; Nonideal solvent mixtures ; Cosolvency
Library Call Number Additional Info Location Last
NTIS  PB92-143999 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 15p
The solubility of hydrophobic organic chemicals (HOCs) in partially-miscible solvent mixtures was investigated. In agreement with previous findings, it was observed that there is a limited domain in which nonideality effects are important; appreciable concentrations of partially-miscible (with water) organic solvents are required in order to observe significant effects on solubility. Deviations from the log-linear cosolvency model were attributed to solvent-solvent interactions, and hence quantified by the degree of nonideality of the solvent mixture. An expression was proposed for estimating the deviations from the log-linear model. For each solvent component, a nonideality term closely related to its partial excess free energy of mixing was added to the log-linear model. Predictions of solubility in binary and ternary solvent mixtures were in good agreement with experimental data. Deviations from the log-linear model were attributed to solvent nonideality which implies that there is no fundamental or mechanistic difference between the cosolvencies of partially- and completely- miscible solvents. The observed differences in cosolvencies are only in magnitude, which results from a combination of the degree of nonideality of the mixture (activity coefficients) and concentrations of the components. Examples of the application of the proposed expression are presented.