Liquid-vapor phase diagram and cluster formation of two-dimensional ionic fluids.
J Chem Phys
; 137(5): 054711, 2012 Aug 07.
Article
en En
| MEDLINE
| ID: mdl-22894375
Direct molecular dynamics simulations on interfaces at constant temperature are performed to obtain the liquid-vapor phase diagram of the two-dimensional soft primitive model, an equimolar mixture of equal size spheres carrying opposite charges. Constant temperature and pressure simulations are also carried out to check consistency with interface simulations results. In addition, an analysis of the cluster formation of mixtures of particles with charge asymmetry in the range 1:1 to 1:36 at low and high densities is performed. The number of free ions, when plotted as a function of the positive ion charge, Z(+), has an oscillatory behavior and is independent of the density. The formation of aggregates is analyzed in terms of the attraction and repulsion between ions.
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01-internacional
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MEDLINE
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En
Revista:
J Chem Phys
Año:
2012
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Article
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Estados Unidos