Hydrogen bonding in liquid alcohols: a computer simulation study

被引：229

作者：

Padro, JA ^{[1
]}

Saiz, L ^{[1
]}

Guardia, E ^{[1
]}

机构：

[1] UNIV POLITECN CATALUNYA, DEPT FIS & ENGN NUCL, ES-08034 BARCELONA, SPAIN

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1997年 / 416卷 / 1-3期

关键词：

molecular dynamics; liquid alcohols; hydrogen bonding; lifetime;

D O I：

10.1016/S0022-2860(97)00038-0

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：

A series of molecular dynamics simulations has been performed to investigate hydrogen bonding in liquid alcohols. The systems considered have been methanol, ethanol, ethylene glycol and glycerol at 298 K. The hydrogen bonding statistics as well as the mean lifetime of the hydrogen bonds are analyzed. The results are compared with those corresponding to liquid water. (C) 1997 Elsevier Science B.V.

引用

页码：243 / 248

页数：6

共 22 条

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