Hydrogen bonding in supercritical water confined in carbon nanotubes

被引：48

作者：

Gordillo, MC

Martí, J

机构：

[1] Univ Politecn Catalunya, Dept Fis & Engn Nucl, ES-08034 Barcelona, Spain

[2] Univ Pablo de Olavide, Fac Ciencias Expt, Dept Ciencias Ambientales, Seville 41013, Spain

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 341卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(01)00504-8

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 present molecular dynamics results on the hydrogen bond structure of water at supercritical conditions adsorbed inside carbon nanotubes (CN). Water was described by means of a flexible version of the simple point charge potential and the water-tube interaction was of the Lennard-Jones type. We found significative reductions in the average number of hydrogen bonds for all considered tubes with respect to bulk water. This effect is much more important than for confined water at ambient conditions. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：250 / 254

页数：5

共 12 条

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