Simple three-state lattice model for liquid water.
A simple three-state lattice model that incorporates two states for locally ordered and disordered forms of liquid water in addition to empty cells is introduced. The model is isomorphic to the Blume-Emery-Griffith model. The locally ordered (O) and disordered (D) forms of water are treated as two components, and we assume that the density of the D component is larger. The density of the sample is determined by the fraction of cells occupied by the O and D forms of water. Due to the larger density of the D state, the strength of the van der Waals (vdW) interactions increases in the direction O-O<O-D<D-D. On the other hand, the H-bond interactions are assumed only for the O-O pairs. For the vdW and H-bond interaction parameters and the density ratio of the close-packed and ice forms of water compatible with experimentally known values, we find liquid-vapor and liquid-liquid transitions and the corresponding critical points in good agreement with other approaches. Water anomalies are correctly predicted within the mean-field approximation on a qualitative level.
Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland.
Alina
A
Ciach
Wojciech
W
Góźdź
Aurélien
A
Perera