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Role of water structure in thermodynamics of nonpolar solvation

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Abstract

The SSOZ (site-site Ornstein-Zernike) equation with an original closure condition for liquid molecular systems is used to calculate thermodynamic functions of noble gas solvation in water. Water is modeled by two close sets of atom-atomic potential functions. The calculations indicate that the chemical solvation potential is strongly sensitive to water structure. A comparison with experiment is given.

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Authors
  1. G. N. Sarkisov
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  2. D. A. Tikhonov
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Additional information

Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 37, No. 4, pp. 736–741, July–August, 1996.

Translated by L. Smolina

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Sarkisov, G.N., Tikhonov, D.A. Role of water structure in thermodynamics of nonpolar solvation. J Struct Chem 37, 633–638 (1996). https://doi.org/10.1007/BF02437177

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  • DOI: https://doi.org/10.1007/BF02437177

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