Título:
|
Intramolecular coupling as a mechanism for a liquid-liquid phase transition
|
Autor/a:
|
Franzese, Giancarlo; Marqués, Manuel I.; Stanley, H. Eugene (Harry Eugene), 1941-
|
Otros autores:
|
Universitat de Barcelona |
Abstract:
|
We study a model for water with a tunable intramolecular interaction Js, using mean-field theory and off-lattice Monte Carlo simulations. For all Js>~0, the model displays a temperature of maximum density. For a finite intramolecular interaction Js>0, our calculations support the presence of a liquid-liquid phase transition with a possible liquid-liquid critical point for water, likely preempted by inevitable freezing. For J=0, the liquid-liquid critical point disappears at T=0. |
Materia(s):
|
-Equacions d'estat -Mètode de Montecarlo -Transformacions de fase (Física estadística) -Termodinàmica -Equations of state -Monte Carlo method -Phase transformations (Statistical physics) -Thermodynamics |
Derechos:
|
(c) American Physical Society, 2003
|
Tipo de documento:
|
Artículo Artículo - Versión publicada |
Editor:
|
The American Physical Society
|
Compartir:
|
|