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Phase diagrams of Ising fluids with Yukawa-Lennard-Jones interactions from an integral equation approach

Author

Listed:
  • I. P. Omelyan
  • W. Fenz
  • R. Folk
  • I. M. Mryglod

Abstract

An integral equation approach is developed to investigate phase coexistence properties of Ising spin fluids with Yukawa ferromagnetic and Lennard-Jones nonmagnetic interactions in the presence of an external field. The calculations are carried out on the basis of the Duh and Henderson closure with a specific Duh-like partitioning of the total potential. The coupled set of the Ornstein-Zernike equation, the closure relation and the external field constraint are solved using an efficient numerical algorithm. The phase diagrams are evaluated in a wide range of varying the external field and the ratio of strengths of Yukawa to Lennard-Jones interactions. Different types of the phase diagram topology as well as various external field dependencies of critical temperatures and densities are identified. The complexity with respect to simple Lennard-Jones fluids is explained by coupling between spatial and spin degrees of freedom in the system. A comparison of the obtained theoretical results with simulation data is made and a good agreement is observed. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2006

Suggested Citation

  • I. P. Omelyan & W. Fenz & R. Folk & I. M. Mryglod, 2006. "Phase diagrams of Ising fluids with Yukawa-Lennard-Jones interactions from an integral equation approach," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 51(1), pages 101-110, May.
    • Handle: RePEc:spr:eurphb:v:51:y:2006:i:1:p:101-110
    DOI: 10.1140/epjb/e2006-00195-8
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