HYDROGEN-BONDING IN LIQUID ALCOHOLS - A COMPUTER-SIMULATION STUDY

Authors
PADRO JA SAIZ L GUARDIA E
Citation
Ja. Padro et al., HYDROGEN-BONDING IN LIQUID ALCOHOLS - A COMPUTER-SIMULATION STUDY, Journal of molecular structure, 416(1-3), 1997, pp. 243-248
Citations number
22
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure → ACNP
ISSN journal
00222860
Volume
416
Issue
1-3
Year of publication
1997
Pages
243 - 248
Database
ISI
SICI code
0022-2860(1997)416:1-3<243:HILA-A>2.0.ZU;2-L
Abstract
A series of molecular dynamics simulations has been performed to inves tigate hydrogen bonding in liquid alcohols. The systems considered hav e been methanol, ethanol, ethylene glycol and glycerol at 298 K. The h ydrogen bonding statistics as well as the mean lifetime of the hydroge n bonds are analyzed. The results are compared with those correspondin g to liquid water. (C) 1997 Elsevier Science B.V.