Role of polarizability in molecular interactions in ion solvation

被引:21
作者
Ahn-Ercan, G [1 ]
Krienke, H [1 ]
Kunz, W [1 ]
机构
[1] Univ Regensburg, Inst Phys & Theoret Chem, D-93040 Regensburg, Germany
关键词
polarizability; ion solvation; dispersion forces;
D O I
10.1016/j.cocis.2004.05.010
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
Non-primitive model Monte Carlo simulations are carried out to explore the importance of dispersion forces for the description of aqueous sodium halide solutions, and contrasted with those for CCl4. For this purpose the classical pair potential approximation is revisited. The role of the polarizability of solvent molecules and of the ions is investigated and discussed in detail. (C) 2004 Elsevier Ltd. All rights reserved.
引用
收藏
页码:92 / 96
页数:5
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