Correlation between hydrophobic hydrophobic attraction and the free energy of hydration

被引:18
|
作者
Koga, K
Bhimalapuram, P
Widom, B [1 ]
机构
[1] Cornell Univ, Dept Chem, Baker Lab, Ithaca, NY 14853 USA
[2] Fukuoka Univ Educ, Dept Chem, Fukuoka 8114192, Japan
基金
美国国家科学基金会; 日本学术振兴会;
关键词
D O I
10.1080/00268970210162899
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
We correlate the strength of the solvent-mediated attraction of a pair of hydrophobic solute molecules with the free energy of hydration of a single such molecule. This is done in the framework of a particular model but the results may be more general. When the model parameters are chosen to represent methane as the solute in water it is found that over the relevant temperature range the strength of the attraction, expressed as a multiple of the thermal energy kT, increases nearly linearly with increasing hydration free energy expressed in the same units. In the middle of the temperature range studied the strength of the attraction is roughly one-third of the hydration free energy.
引用
收藏
页码:3795 / 3801
页数:7
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