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Article

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Published version

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2003

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/18812

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

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http://dx.doi.org/10.1103/PhysRevE.67.011103

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.

Subject

Equacions d'estat, Mètode de Montecarlo, Transformacions de fase (Física estadística), Termodinàmica

Subject (English)

Equations of state, Monte Carlo method, Phase transformations (Statistical physics), Thermodynamics

Citation

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Articles publicats en revistes (Física de la Matèria Condensada)

Citation

FRANZESE, Giancarlo, MARQUÉS, Manuel I. and STANLEY, H. Eugene (Harry Eugene). Intramolecular coupling as a mechanism for a liquid-liquid phase transition. Physical Review E. 2003. Vol. 67, num. 1, pags. 011103-1-011103-7. ISSN 1063-651X. [consulted: 16 of August of 2026]. Available at: https://hdl.handle.net/2445/18812

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