Intramolecular coupling as a mechanism for a liquid-liquid phase transition

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RECERCAT Principal > Universitat de Barcelona > Física de la Matèria Condensada > Articles publicats en revistes (Física de la Matèria Condensada) > Visualizar documento

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dc.contributor	Universitat de Barcelona
dc.contributor.author	Franzese, Giancarlo
dc.contributor.author	Marqués, Manuel I.
dc.contributor.author	Stanley, H. Eugene (Harry Eugene), 1941-
dc.date	2011-07-07T12:53:16Z
dc.date	2011-07-07T12:53:16Z
dc.date	2003
dc.identifier.citation	1063-651X
dc.identifier.citation	513998
dc.identifier.uri	http://hdl.handle.net/2445/18812
dc.format	7 p.
dc.format	application/pdf
dc.language.iso	eng
dc.publisher	The American Physical Society
dc.relation	Reproducció del document publicat a: http://dx.doi.org/10.1103/PhysRevE.67.011103
dc.relation	Physical Review E, 2003, vol. 67, núm. 1, p. 011103-1-011103-7
dc.relation	http://dx.doi.org/10.1103/PhysRevE.67.011103
dc.rights	(c) American Physical Society, 2003
dc.rights	info:eu-repo/semantics/openAccess
dc.subject	Equacions d'estat
dc.subject	Mètode de Montecarlo
dc.subject	Transformacions de fase (Física estadística)
dc.subject	Termodinàmica
dc.subject	Equations of state
dc.subject	Monte Carlo method
dc.subject	Phase transformations (Statistical physics)
dc.subject	Thermodynamics
dc.title	Intramolecular coupling as a mechanism for a liquid-liquid phase transition
dc.type	info:eu-repo/semantics/article
dc.type	info:eu-repo/semantics/publishedVersion
dc.description.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.

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