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.
Full Text
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call