Correlation between hydrophobic attraction and the free energy of hydrophobic hydration
Correlation between hydrophobic attraction and the free energy of hydrophobic hydration
复制标题
疏水吸引力与疏水水合自由能之间的相关性
DOI：
10.1080/00268970210162899
复制
发表时间：
2002
期刊：
影响因子：
--
通讯作者：
B. Widom
中科院分区：
文献类型：
--
作者：
K. Koga;P. Bhimalapuram;B. Widom
我们关联的溶剂介导的吸引力的一对疏水性溶质分子的强度与一个单一的这样的分子的水合作用的自由能。这是在特定模型的框架内完成的，但结果可能更普遍。当模型参数被选择来表示甲烷作为在水中的溶质时，发现在相关的温度范围内的吸引力的强度，表示为热能KT的倍数，随着以相同单位表示的水合自由能的增加而几乎线性地增加。在研究的温度范围的中间，吸引力的强度大约是水合自由能的三分之一。
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.