Structure, thermodynamics, and dynamics of the liquid/vapor interface of water/dimethylsulfoxide mixtures

被引：71

作者：

Benjamin, I ^{[1
]}

机构：

[1] Univ Calif Santa Cruz, Dept Chem, Santa Cruz, CA 95064 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 110卷 / 16期

关键词：

D O I：

10.1063/1.478708

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：

Molecular dynamics computer simulations are used to study the structure, thermodynamics and dynamics of the liquid/vapor interface of water/DMSO (dimethylsulfoxide) mixtures. Both the infinite dilution limit (single DMSO molecule) and four different finite concentration mixtures are investigated. Considered are the potential of mean force for the adsorption of DMSO and the dependence of several surface structural properties (orientation, hydrogen bonding) and surface potential on the bulk concentration of DMSO. The adsorption dynamics are also investigated and compared with a diffusion model. In general, the results are in good agreement with recent experimental measurements. (C) 1999 American Institute of Physics. [S0021-9606(99)50116-5].

引用

页码：8070 / 8079

页数：10

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