LIQUID VAPOR INTERFACE OF WATER-METHANOL MIXTURE .1. COMPUTER-SIMULATION

被引：127

作者：

MATSUMOTO, M ^{[1
]}

TAKAOKA, Y ^{[1
]}

KATAOKA, Y ^{[1
]}

机构：

[1] KYOTO UNIV,FAC SCI,DEPT CHEM,KYOTO 60601,JAPAN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1993年 / 98卷 / 02期

关键词：

D O I：

10.1063/1.464310

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：

Results of molecular dynamics computer simulation are presented for liquid-vapor interfaee of water-methanol mixture of various compositions at room temperature. The composition dependence of calculated surface tension is typical of aqueous solutions of organic compounds. The outermost surface layer is saturated with methanol even at low bulk concentrations of methanol. The density profile of each component seems oscillatory at some compositions.

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页码：1464 / 1472

页数：9

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