Confined water/oil interface.: Molecular dynamics study

被引：3

作者：

Di Leo, JM

Marañon, J

机构：

[1] Natl Univ La Plata, Fac Ingn, Dept Aeronaut, RA-1900 La Plata, Argentina

[2] Natl Univ La Plata, Dept Fis, Fac Ciencias Exactas, Inst Fis, RA-1900 La Plata, Argentina

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2004年 / 672卷 / 1-3期

关键词：

confined interface; nanotube; molecular dynamics;

D O I：

10.1016/j.theochem.2003.11.032

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：

We have analysed the confinement effect on the water/oil interface with a hydrophobic and hydrophilic flexible prismatic nanotube of the vander Waals particles at 300 K. The density profile of the interface, the water structure, ordering and hydrogen bond have also been considered, as well as the properties, that characterises the interface, width, hydrophobic degree and interfacial tension. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：221 / 229

页数：9

共 35 条

[31] CHARACTERIZATION OF AQUEOUS INTERFACES WITH DIFFERENT HYDROPHOBICITIES BY MOLECULAR-DYNAMICS [J].