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Liquid Polymorphism and Density Anomaly in a Lattice Gas Model.pdf

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Liquid Polymorphism and Density Anomaly in a Lattice Gas Model

a r X i v : c o n d - m a t / 0 4 0 7 7 6 3 v 1 [ c o n d - m a t .s t a t - m e c h ] 2 9 J u l 2 0 0 4 Liquid Polymorphism and Density Anomaly in a Lattice Gas Model Vera B. Henriques Instituto de Fsica, Universidade de Sa?o Paulo, Caixa Postal 66318, So Paulo, SP, Brazil? Marcia C. Barbosa Instituto de F??sica, UFRGS, Caixa Postal 15051, 91501-970, Porto Alegre, RS, Brazil? (Dated: February 2, 2008) We present a simple model for an associating liquid in which polymorphism and density anomaly are connected. Our model combines a two dimensional lattice gas with particles interacting through a soft core potential and orientational degrees of freedom represented through thermal ”ice variables”. The competition between the directional attractive forces and the soft core potential leads to a phase diagram in which two liquid phases and a density anomaly are present. The coexistence line between the low density liquid and the high density liquid has a positive slope contradicting the surmise that the presence of a density anomaly implies that the high density liquid is more entropic than the low density liquid. PACS numbers: 64.70.Ja, 05.70.Ce, 05.10.Ln Water is one of the most mysterious materials in na- ture. It exhibits a number of thermodynamic and dy- namic anomalous properties [1]-[3], such as the maxi- mum as a function of temperature both in density and in isothermal compressibility in the liquid phase. It has been proposed some time ago that these anomalies might be associated with a critical point at the terminus of a liquid-liquid line, in the unstable supercooled liq- uid region[4], at high pressures, following the suggestion, based on varied experimental data [5], of a thermody- namic singularity in supercooled water, around 228K and at atmospheric pressure. Inspite of the limit of 235K be- low which water cannot be found in the liquid phase with- out crystallization, two amorphous phases were observed at much lower temperatures [6]. There