Literature DB >> 11138086

Free energy surface of supercooled water

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Abstract

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.

Entities:  

Year:  2000        PMID: 11138086     DOI: 10.1103/physreve.62.8016

Source DB:  PubMed          Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics        ISSN: 1063-651X


  3 in total

1.  Interplay of the glass transition and the liquid-liquid phase transition in water.

Authors:  Nicolas Giovambattista; Thomas Loerting; Boris R Lukanov; Francis W Starr
Journal:  Sci Rep       Date:  2012-05-01       Impact factor: 4.379

2.  Nuclear quantum effects on the thermodynamic, structural, and dynamical properties of water.

Authors:  Ali Eltareb; Gustavo E Lopez; Nicolas Giovambattista
Journal:  Phys Chem Chem Phys       Date:  2021-03-17       Impact factor: 3.945

3.  Glass polymorphism in glycerol-water mixtures: I. A computer simulation study.

Authors:  David A Jahn; Jessina Wong; Johannes Bachler; Thomas Loerting; Nicolas Giovambattista
Journal:  Phys Chem Chem Phys       Date:  2016-04-28       Impact factor: 3.676

  3 in total

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