Polarizable Ions at Interfaces

被引：192

作者：

Levin, Yan ^{[1
]}

机构：

[1] Univ Fed Rio Grande do Sul, Inst Fis, BR-91501970 Porto Alegre, RS, Brazil

来源：

PHYSICAL REVIEW LETTERS | 2009年 / 102卷 / 14期

关键词：

SURFACE-TENSION; ELECTROLYTE-SOLUTIONS; AIR/WATER INTERFACE; WATER; HYDROPHOBICITY; SPECTROSCOPY; SIMULATIONS; HYDRATION; CLUSTERS;

D O I：

10.1103/PhysRevLett.102.147803

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A nonperturbative theory is presented which allows us to calculate the solvation free energy of polarizable ions near water-vapor and water-oil interfaces. The theory predicts that larger halogen anions are adsorbed at the interface, while the alkali metal cations are repelled from it. The density profiles calculated theoretically are similar to those obtained using molecular dynamics simulations with polarizable force fields.

引用

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