Model calculations for Setchenow coefficients |
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Authors: | C V Krishnan Harold L Friedman |
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Institution: | (1) Department of Chemistry, State University of New York, Stony Brook, New York, 11790 |
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Abstract: | The calculations of Setchenow coefficients reported earlier H. L. Friedman, C. V. Krishnan, and C. Jolicoeur,Ann. N.Y. Acad. Sci.
204, 79 (1973)] have been extended to aqueous solutions of various nonelectrolytes mixed with alkali or alkylammonium halides. A few data for Setchenow coefficients in methanol have also been treated. The GurneyA
ij
parameters for nonelectrolyte-ion interactions in models which fit the data are mostly negative, and more so the larger the solute molecules. A value ofA
ij
near-100 cal-mole–1 seems to characterize hydrophobic bonding. In several systems these is evidence that some nonsolvation contribution to theu
ij
pair potential which is not explicitly accounted for in the models is important in the real systems. Quite possibly this contribution is due to dispersion forces or to the chargepolarizability interaction. On the whole, theA
ij
parameters do not seem to depend upon the charges on solute particlesi andj; this is evidence that the model is fairly realistic. |
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Keywords: | Thermodynamic excess functions model calculations Setchenow coefficients salting-out Gurney parameters solutions |
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