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Liquid polyamorphism and double criticality in a lattice gas model

2005; Taylor & Francis; Volume: 103; Issue: 21-23 Linguagem: Inglês

10.1080/00268970500208807

1362-3028

Vera B. Henriques, Nara Guisoni, Marco Aurélio A. Barbosa, Marcelo Thielo, Márcia C. Barbosa,

Theoretical and Computational Physics

We analyze the possible phase diagrams of a simple model for an associating liquid proposed previously. Our two-dimensional lattice model combines oreintati onal ice-like interactions and \"{}Van der Waals\"{} interactions which may be repulsive, and in this case represent a penalty for distortion of hydrogen bonds in the presence of extra molecules. These interactions can be interpreted in terms of two competing distances, but not necessarily soft-core. We present mean -field calculations and an exhaustive simulation study for different parameters which represent relative strength of the bonding interaction to the energy penalty for its distortion. As this ratio decreases, a smooth disappearance of the doubl e criticality occurs. Possible connections to liquid-liquid transitions of molecul ar liquids are suggested.