1 research outputs found
Intra-molecular coupling as a mechanism for a liquid-liquid phase transition
We study a model for water with a tunable intra-molecular interaction
, using mean field theory and off-lattice Monte Carlo simulations.
For all , the model displays a temperature of maximum
density.For a finite intra-molecular interaction ,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.Comment: 8 pages, 4 figure