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
收藏
页码：401 / 418
页数：18
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