Phase separation in mixtures of Yukawa and charged Yukawa particles from Gibbs ensemble Monte Carlo simulations and the mean spherical approximation

Tamás Kristóf; Dezsö Boda; Douglas Henderson

doi:10.1063/1.1638998

Phase separation in mixtures of Yukawa and charged Yukawa particles from Gibbs ensemble Monte Carlo simulations and the mean spherical approximation

J Chem Phys. 2004 Feb 8;120(6):2846-50. doi: 10.1063/1.1638998.

Authors

Tamás Kristóf¹, Dezsö Boda, Douglas Henderson

Affiliation

¹ Department of Physical Chemistry, University of Veszprem, H-8201 Veszprem, PO Box 158, Hungary. kristoft@almos.vein.hu

PMID: 15268431
DOI: 10.1063/1.1638998

Abstract

The phase equilibrium of mixtures of Yukawa and charged Yukawa particles is studied by means of Gibbs ensemble Monte Carlo (GEMC) simulation method and the mean spherical approximation (MSA). The strength of the Coulomb energy compared to that of the Yukawa attraction is characterized by a coupling constant. For low coupling constants a classical vapor--liquid phase separation appears with a good agreement between GEMC and the MSA. For high coupling constant, a phase separation between a salt poor and a salt rich phase occurs that resembles the phase equilibrium behavior of the solvent primitive model.