Free energy surface of supercooled water

We present a detailed analysis of the free energy surface of a well characterized rigid model for water in supercooled states. We propose a functional form for the liquid free energy, supported by recent theoretical predictions [Y. Rosenfeld and P. Tarazona, Mol. Phys. 95, 141 (1998)], and use it to...

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Veröffentlicht in:Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics Statistical physics, plasmas, fluids, and related interdisciplinary topics, 2000-12, Vol.62 (6 Pt A), p.8016-8020
Hauptverfasser: Scala, A, Starr, FW, La Nave E, Stanley, HE, Sciortino, F
Format: Artikel
Sprache:eng
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Zusammenfassung:We present a detailed analysis of the free energy surface of a well characterized rigid model for water in supercooled states. We propose a functional form for the liquid free energy, supported by recent theoretical predictions [Y. Rosenfeld and P. Tarazona, Mol. Phys. 95, 141 (1998)], and use it to locate the position of a liquid-liquid critical point at T(C')=130+/-5 K, P(C')=290+/-30 MPa, and rho(C')=1.10+/-0.03 g/cm(3). The observation of the critical point strengthens the possibility that the extended simple point charge model of water may undergo a liquid-liquid phase transition. Finally, we discuss the possibility that the approach to the liquid-liquid critical point could be pre-empted by the glass transition.
ISSN:1063-651X
1095-3787
DOI:10.1103/PhysRevE.62.8016