Abstract
Different models for predicting partioning between the vapor phase and the macroscopic surface of liquid water was discussed. The first model called SM5.0R-Surf, involved atomic surface tensions developed for bulk solvation in organic liquids. The second model was found to be empirical correlation of the interfacial-water partition coefficient with the van der waals surface area. The new SM5.0R-Surf model was expected to predict the free energy of the solvation at air-water interfaces and in bulk organic liquids for any solute.
Original language | English (US) |
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Pages (from-to) | 12882-12897 |
Number of pages | 16 |
Journal | Journal of Physical Chemistry B |
Volume | 108 |
Issue number | 34 |
DOIs | |
State | Published - Aug 26 2004 |