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Liquid–vapor and liquid–liquid coexistence curves of water. Results obtained for the liquid–vapor as well as for the first and second liquid–liquid coexistences of the BSV water model from Gibbs ensemble Monte Carlo simulations are shown by full circles, squares and up triangles, respectively. The experimental liquid–vapor coexistence curve (Ref. 31) is shown by a solid line. The experimental critical point and the estimated critical point of the BSV model are marked by an asterisk and a diamond, respectively. The inset shows the region of the liquid–liquid coexistences on an enlarged scale.
Liquid–vapor coexistence curve of water, shown on a logarithmic scale. Notations are the same as on Fig. 1.
Internal energy of the coexisting liquid and vapor phases (up and down triangles, respectively) and energy of vaporization (circles) of the BSV water model as a function of the reduced temperature. The experimental energy of vaporization of water (Ref. 31) is shown by a solid line.
Vapor–liquid equilibrium data (liquid and vapor densities, internal energies and average molecular dipole moments, energies of vaporization) of the BSV water model as obtained from Gibbs ensemble Monte Carlo simulations.
Liquid–liquid coexisting densities of the BSV water model and average molecular dipole moments in the coexisting phases as obtained from Gibbs ensemble Monte Carlo simulations. Indices I, II, and III refer to the different supercooled liquid phases.
Critical constants of several polarizable and nonpolarizable water models.
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