Carregant...
Carregant...

Vés al contingut (premeu Retorn)

Local structural effects and related dynamics in supercritical ethanol. 1. Mechanisms of local density reorganization and residence dynamics

Autor
Skarmoutsos, I.; Guardia, E.
Tipus d'activitat
Article en revista
Revista
Journal of physical chemistry B
Data de publicació
2009
Volum
113
Pàgina inicial
8887
Pàgina final
8897
DOI
https://doi.org/10.1021/jp901020x Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/7426 Obrir en finestra nova
URL
http://pubs.acs.org/doi/pdfplus/10.1021/jp901020x?cookieSet=1 Obrir en finestra nova
Resum
The length scale effects on the relaxation processes describing the local density reorganization and residence dynamics of pure supercritical ethanol have been systematically investigated by employing molecular dynamics simulation techniques. The calculated static local density augmentation and enhancement values of ethanol have been found to be comparable to those of methanol at similar conditions but significantly lower than those of the strong associating fluid water, indicating thus the effe...
Citació
Skarmoutsos, I.; Guardia, E. Local structural effects and related dynamics in supercritical ethanol. 1. Mechanisms of local density reorganization and residence dynamics. "Journal of physical chemistry B", 2009, vol. 113, p. 8887-8897.
Grup de recerca
CEBIM - Centre de Biotecnologia Molecular
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants