Heat capacity change of the hydrophobic interaction

被引：40

作者：

Rick, SW ^{[1
]}

机构：

[1] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA

[2] So Univ New Orleans, Dept Chem, New Orleans, LA 70126 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2003年 / 107卷 / 36期

关键词：

D O I：

10.1021/jp034725b

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 thermodynamic properties of a methane pair in water are examined with use of molecular dynamics computer simulations. From the simulations, the heat capacity change for methane pair aggregation is examined for two different potential models. Various methods for calculating the heat capacity change are presented and evaluated. It is found that the heat capacity change for aggregation is negative, consistent with a positive heat capacity change for the aqueous solvation of nonpolar molecules.

引用

页码：9853 / 9857

页数：5

共 61 条

[1]

Allen M. P., 1987, Computer Simulation of Liquids

[2] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].