ROLE OF WATER-STRUCTURE IN THERMODYNAMICS OF NONPOLAR SOLVATION

Authors
SARKISOV GN TIKHONOV DA
Citation
Gn. Sarkisov et Da. Tikhonov, ROLE OF WATER-STRUCTURE IN THERMODYNAMICS OF NONPOLAR SOLVATION, Journal of structural chemistry, 37(4), 1996, pp. 633-638
Citations number
13
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
37
Issue
4
Year of publication
1996
Pages
633 - 638
Database
ISI
SICI code
0022-4766(1996)37:4<633:ROWITO>2.0.ZU;2-5
Abstract
The SSOZ (site-site Ornstein-Zernike) equation with an original closur e condition for liquid molecular systems is used to calculate thermody namic functions of noble gas solvation in water. Water is modeled by t wo close sets of atom-atomic potential functions. The calculations ind icate that the chemical solvation potential is strongly sensitive to w ater structure. A comparison with experiment is given.