How the liquid-liquid transition affects hydrophobic hydration in deeply supercooled water

被引：170

作者：

Paschek, D ^{[1
]}

机构：

[1] Univ Dortmund, D-44221 Dortmund, Germany

来源：

PHYSICAL REVIEW LETTERS | 2005年 / 94卷 / 21期

关键词：

D O I：

10.1103/PhysRevLett.94.217802

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We determine the phase diagram of liquid supercooled water by extensive computer simulations using the TIP5P-E model [J. Chem. Phys. 120, 6085 (2004)]. We find that the transformation of water into a low density liquid in the supercooled range strongly enhances the solubility of hydrophobic particles. The transformation of water into a tetrahedrally structured liquid is accompanied by a minimum in the hydration entropy and enthalpy. The corresponding change in sign of the solvation heat capacity indicates a loss of one characteristic signature of hydrophobic hydration. The observed behavior is found to be qualitatively in accordance with the predictions of the information theory model of Garde et al. [Phys. Rev. Lett. 77, 4966 (1996)].

引用

页数：4

共 30 条

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