Progress in Modeling of Ion Effects at the Vapor/Water Interface

被引：108

作者：

Netz, Roland R. ^{[1
]}

Horinek, Dominik ^{[2
]}

机构：

[1] Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany

[2] Univ Regensburg, Inst Phys & Theoret Chem, D-93040 Regensburg, Germany

来源：

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 | 2012年 / 63卷

关键词：

Hofmeister effects; surface tension; molecular simulations; force fields; MOLECULAR-DYNAMICS SIMULATIONS; SURFACE-TENSION; FREE-ENERGY; AQUEOUS-SOLUTIONS; VIBRATIONAL SPECTROSCOPY; LIQUID INTERFACE; FORCE-FIELD; WATER; HYDRATION; SOLVATION;

D O I：

10.1146/annurev-physchem-032511-143813

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：

The behavior of halide salts at the vapor/water interface has been the focus of a tremendous amount of work in the past ten years. A molecular view of the interface has been introduced with the observation that large anions have some affinity for the interface, but a quantitative description of the driving forces that determine ion adsorption or repulsion at the interface is still missing. This review discusses recent developments that are based on classical and quantum-chemical molecular simulations as well as developments that are based on simple potential models.

引用

页码：401 / 418

页数：18

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