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

被引：10

作者：

BenNaim, A ^{[1
]}

Lovett, R ^{[1
]}

机构：

[1] WASHINGTON UNIV,DEPT CHEM,ST LOUIS,MO 63130

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 1997年 / 101卷 / 49期

关键词：

D O I：

10.1021/jp962811o

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 similar to R has the form W-S(R) approximate to a + bR + cR(2) + dR(3).

引用

页码：10535 / 10541

页数：7

共 19 条

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[2]

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[3]

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