Details zur Publikation

Kategorie Textpublikation
Referenztyp Zeitschriften
DOI 10.1021/jp036650h
Titel (primär) Free energy of transfer of a solute and its relation to the partition constant
Autor Goss, K.-U.
Quelle Journal of Physical Chemistry B
Erscheinungsjahr 2003
Department AUC
Band/Volume 107
Heft 50
Seite von 14025
Seite bis 14029
Sprache englisch
Abstract There is an ongoing debate in the literature about the correct relationship between the free energy of transfer of a molecule i between two phases 1 and 2, ΔG°i12, and the corresponding partition constant, Kci12. This work presents experimental evidence, based on data from the literature, indicating that the unit molar concentration scale is close to the correct standard state. However, a discrepancy remains that appears to be related to the free volume in the liquid phase, as has been postulated before by Vitha and Carr. This discrepancy can be quantified by an empirical linear regression with the surface tension of the respective liquid phase. Other approaches that account for an additional entropy contribution arising from differences in the molar volume of the solvents are disproved by these data. This finding has consequences for Raoult's law convention and the Flory−Huggins theory.
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Goss, K.-U. (2003):
Free energy of transfer of a solute and its relation to the partition constant
J. Phys. Chem. B 107 (50), 14025 - 14029 10.1021/jp036650h