ASSOCIATION AND DISSOCIATION OF NONPOLAR AND POLAR VAN-DER-WAALS PAIRS IN WATER - MANIFESTATION OF THE HYDROPHOBIC AND HYDROPHILIC EFFECT

Authors
JUNGWIRTH P ZAHRADNIK R
Citation
P. Jungwirth et R. Zahradnik, ASSOCIATION AND DISSOCIATION OF NONPOLAR AND POLAR VAN-DER-WAALS PAIRS IN WATER - MANIFESTATION OF THE HYDROPHOBIC AND HYDROPHILIC EFFECT, Journal of physical chemistry, 98(4), 1994, pp. 1328-1332
Citations number
34
Categorie Soggetti
Chemistry Physical
Journal title
Journal of physical chemistry → ACNP
ISSN journal
00223654
Volume
98
Issue
4
Year of publication
1994
Pages
1328 - 1332
Database
ISI
SICI code
0022-3654(1994)98:4<1328:AADONA>2.0.ZU;2-R
Abstract
Solvent-induced free energy profiles of the association/dissociation o f model van der Waals pairs were obtained via molecular dynamics simul ations. For molecules of various sizes, a smooth shift from associativ e to dissociative interaction was observed with charging of the van de r Waals pair. This effect was quantified and discussed in the context of the hydrophobic and hydrophilic phenomena.