6533b85efe1ef96bd12bfb2a
RESEARCH PRODUCT
Continuum-uniform approach calculations of the solubility of hydrocarbons in water
Juan-luis Pascual-ahuirIñaki TuñónEstanislao Sillasubject
chemistry.chemical_classificationAlkaneAqueous solutionGeneral Physics and AstronomyThermodynamicsMineralogySolventHydrophobic effectSurface tensionHydrocarbonchemistryCavitationPhysical and Theoretical ChemistrySolubilitydescription
Abstract The ransfer free energies from gas phase to water for some hydrocarbons are calculated by means of a continuum-uniform model of the solvent. For the calculation of the cavitation energy a model based on the surface tension is proposed. The calculated values are compared with the experimental free energies obtained with and without a corrective factor that accounts for the difference in the solute—solvent sizes. Good agreement between the theoretical free energies and the corrected experimental data is obtained. Our calculations seem to show that the hydrophobic effect is directly related to the molecular surface area.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1993-02-01 | Chemical Physics Letters |