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

Abstract

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 $J_{\sigma }\ge 0$, 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.

8 pages, 4 figures

References in corpus (2)

• Metastable liquid-liquid phase transition in a single-component system with only one crystal phase and no density anomaly
• A Simple Model of Liquid-liquid Phase Transitions

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