Solvation free energy of a hard sphere solute in a square well solvent as a function of solute size

A. Ben-Naim; R. Lovett

doi:10.1021/jp962811o

Solvation free energy of a hard sphere solute in a square well solvent as a function of solute size

A. Ben-Naim^*
, R. Lovett

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

The work required to couple a hard sphere solute into a solvent of molecules interacting through a square well potential is calculated by two methods. First a virial series approximation is used, and then an approximate integral equation is used. Both approximations show how the solvation work changes with the size of the solute particle. We find that the solvation work for a solute of size ∼R has the form W_s(R) ≈ a + bR + cR² + dR³.

Original language	English
Pages (from-to)	10535-10541
Number of pages	7
Journal	Journal of Physical Chemistry B
Volume	101
Issue number	49
DOIs	https://doi.org/10.1021/jp962811o
State	Published - 4 Dec 1997

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abstract = "The work required to couple a hard sphere solute into a solvent of molecules interacting through a square well potential is calculated by two methods. First a virial series approximation is used, and then an approximate integral equation is used. Both approximations show how the solvation work changes with the size of the solute particle. We find that the solvation work for a solute of size ∼R has the form Ws(R) ≈ a + bR + cR2 + dR3.",

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AB - The work required to couple a hard sphere solute into a solvent of molecules interacting through a square well potential is calculated by two methods. First a virial series approximation is used, and then an approximate integral equation is used. Both approximations show how the solvation work changes with the size of the solute particle. We find that the solvation work for a solute of size ∼R has the form Ws(R) ≈ a + bR + cR2 + dR3.

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Solvation free energy of a hard sphere solute in a square well solvent as a function of solute size

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