Water-Mediated Hydrophobic Interactions

被引：162

作者：

Ben-Amotz, Dor ^{[1
]}

机构：

[1] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA

来源：

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67 | 2016年 / 67卷

基金：

美国国家科学基金会;

关键词：

hydrophobic; water-mediated; potential of mean force; free energy; enthalpy; entropy; compensation; crossover; 2ND VIRIAL-COEFFICIENTS; UNITED-ATOM DESCRIPTION; HIGH-ENERGY WATER; TEMPERATURE-DEPENDENCE; HEAT-CAPACITY; MOLECULAR-DYNAMICS; AQUEOUS-SOLUTIONS; TRANSFERABLE POTENTIALS; PHASE-EQUILIBRIA; TERTIARY BUTANOL;

D O I：

10.1146/annurev-physchem-040215-112412

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：

Hydrophobic interactions are driven by the combined influence of the direct attraction between oily solutes and an additional water-mediated interaction whose magnitude (and sign) depends sensitively on both solute size and attraction. The resulting delicate balance can lead to a slightly repulsive water-mediated interaction that drives oily molecules apart rather than pushing them together and thus opposes their direct (van der Waals) attraction for each other. As a consequence, competing solute size-dependent crossovers weaken hydrophobic interactions sufficiently that they are only expected to significantly exceed random thermal energy fluctuations for processes that bury more than similar to 1 nm(2) of water-exposed area.

引用

页码：617 / +

页数：29

共 157 条

[1] A general purpose model for the condensed phases of water: TIP4P/2005 [J].