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Liquid–vapor and liquid–liquid phase equilibria of the Brodholt–Sampoli–Vallauri polarizable water model
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10.1063/1.1855886
/content/aip/journal/jcp/122/8/10.1063/1.1855886
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/8/10.1063/1.1855886

Figures

Image of FIG. 1.
FIG. 1.

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.

Image of FIG. 2.
FIG. 2.

Liquid–vapor coexistence curve of water, shown on a logarithmic scale. Notations are the same as on Fig. 1.

Image of FIG. 3.
FIG. 3.

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.

Tables

Generic image for table
Table I.

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.

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Table II.

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.

Generic image for table
Table III.

Critical constants of several polarizable and nonpolarizable water models.

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/content/aip/journal/jcp/122/8/10.1063/1.1855886
2005-02-14
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Liquid–vapor and liquid–liquid phase equilibria of the Brodholt–Sampoli–Vallauri polarizable water model
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/8/10.1063/1.1855886
10.1063/1.1855886
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