Intra-molecular coupling as a mechanism for a liquid-liquid phase transition

Details Intra-molecular coupling as a mechanism for a liquid-liquid phase transition Intra-molecular coupling as a mechanism for a liquid-liquid phase transition

2001-12-18

arxiv.org/abs/cond-mat/0112341v3

Physical Review E 67, 011103 (2003)

Physics

Condensed Matter

Statistical Mechanics

8 pages, 4 figures

Scientific paper

We study a model for water with a tunable intra-molecular interaction $J_\sigma$, using mean field theory and off-lattice Monte Carlo simulations. For all $J_\sigma\geq 0$, the model displays a temperature of maximum density.For a finite intra-molecular interaction $J_\sigma > 0$,our calculations support the presence of a liquid-liquid phase transition with a possible liquid-liquid critical point for water, likely pre-empted by inevitable freezing. For J=0 the liquid-liquid critical point disappears at T=0.

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