SOLVATION FREE-ENERGY OF A HARD-SPHERE SOLUTE IN A SQUARE-WELL SOLVENT AS A FUNCTION OF SOLUTE SIZE

Authors
BENNAIM A LOVETT R
Citation
A. Bennaim et R. Lovett, SOLVATION FREE-ENERGY OF A HARD-SPHERE SOLUTE IN A SQUARE-WELL SOLVENT AS A FUNCTION OF SOLUTE SIZE, JOURNAL OF PHYSICAL CHEMISTRY B, 101(49), 1997, pp. 10535-10541
Citations number
19
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
101
Issue
49
Year of publication
1997
Pages
10535 - 10541
Database
ISI
SICI code
1089-5647(1997)101:49<10535:SFOAHS>2.0.ZU;2-O
Abstract
The work required to couple a hard sphere solute into a solvent of mol ecules interacting through a square well potential is calculated by tw o methods. First a virial series approximation is used, and then an ap proximate integral equation is used. Both approximations show how the solvation work changes with the size of the solute particle. We find t hat the solvation work for a solute of size similar to R has the form W-S(R) approximate to a + bR + cR(2) + dR(3).