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Title: Intramolecular coupling as a mechanism for a liquid-liquid phase transition
Author: Franzese, Giancarlo
Marqués, Manuel I.
Stanley, H. Eugene (Harry Eugene), 1941-
Keywords: Equacions d'estat
Mètode de Montecarlo
Transformacions de fase (Física estadística)
Equations of state
Monte Carlo method
Phase transformations (Statistical physics)
Issue Date: 2003
Publisher: The American Physical Society
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.
Note: Reproducció del document publicat a:
It is part of: Physical Review E, 2003, vol. 67, núm. 1, p. 011103-1-011103-7
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ISSN: 1063-651X
Appears in Collections:Articles publicats en revistes (Física de la Matèria Condensada)

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