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

  • I. P. Omelyan
  • W. FenzEmail author
  • R. Folk
  • I. M. Mryglod
Statistical and Nonlinear Physics

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.

PACS.

64.60.-i General studies of phase transitions  64.70.Fx Liquid-vapor transitions 75.50.Mm Magnetic liquids 

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References

  1. N.E. Frankel, C.J. Thompson, J. Phys. C: Solid State Phys. 8, 3194 (1975) CrossRefADSGoogle Scholar
  2. P.C. Hemmer, D. Imbro, Phys. Rev. A 16, 380 (1977) CrossRefADSGoogle Scholar
  3. E. Lomba, J.J. Weis, N.G. Almarza, F. Bresme, G. Stell, Phys. Rev. E 49, 5169 (1994) CrossRefADSGoogle Scholar
  4. J.M. Tavares, M.M. Telo da Gama, P.I.C. Teixeira, J.J. Weis, M.J.P. Nijmeijer, Phys. Rev. E 52, 1915 (1995) CrossRefADSGoogle Scholar
  5. M.J.P. Nijmeijer, J.J. Weis, Phys. Rev. E 53, 591 (1996) CrossRefADSGoogle Scholar
  6. M.J.P. Nijmeijer, J.J. Weis, in Annual Review of Computational Physics IV, edited by D. Stauffer (World Scientific, Singapore, 1996) Google Scholar
  7. J.J. Weis, M.J.P. Nijmeijer, J.M. Tavares, M.M. Telo da Gama, Phys. Rev. E 55, 436 (1997) CrossRefADSGoogle Scholar
  8. M.J.P. Nijmeijer, A. Parola, L. Reatto, Phys. Rev. E 57, 465 (1998) CrossRefADSGoogle Scholar
  9. F. Lado, E. Lomba, Phys. Rev. Lett. 80, 3535 (1998) CrossRefADSGoogle Scholar
  10. T.G. Sokolovska, Physica A 253, 459 (1998) CrossRefGoogle Scholar
  11. F. Lado, E. Lomba, J.J. Weis, Phys. Rev. E 58, 3478 (1998) CrossRefADSGoogle Scholar
  12. F. Schinagl, H. Iro, R. Folk, Eur. Phys. J. B 8, 113 (1999) CrossRefADSGoogle Scholar
  13. F. Schinagl, R. Folk, H. Iro, Condens. Matter Phys. 2, 313 (1999) Google Scholar
  14. T.G. Sokolovska, R.O. Sokolovskii, Phys. Rev. E 59, R3819 (1999) Google Scholar
  15. T.G. Sokolovska, R.O. Sokolovskii, M.F. Holovko, Phys. Rev. E 62, 6771 (2000) CrossRefADSGoogle Scholar
  16. E. Lomba, F. Lado, J.J. Weis, Condens. Matter Phys. 4, 45 (2001) Google Scholar
  17. I.M. Mryglod, I.P. Omelyan, R. Folk, Phys. Rev. Lett. 86, 3156 (2001) CrossRefADSGoogle Scholar
  18. W. Fenz, R. Folk, Phys. Rev. E 67, 021507 (2003) CrossRefADSGoogle Scholar
  19. W. Fenz, R. Folk, Condens. Matter Phys. 6, 675 (2003) Google Scholar
  20. W. Fenz, R. Folk, I.M. Mryglod, I.P. Omelyan, Phys. Rev. E 68, 061510 (2003) CrossRefADSGoogle Scholar
  21. I.P. Omelyan, I.M. Mryglod, R. Folk, W. Fenz, Phys. Rev. E 69, 061506 (2004); 70, 049903(E) (2004) MathSciNetCrossRefADSGoogle Scholar
  22. I.P. Omelyan, W. Fenz, I.M. Mryglod, R. Folk, Phys. Rev. Lett. 94, 045701 (2005) CrossRefADSGoogle Scholar
  23. I.P. Omelyan, W. Fenz, I.M. Mryglod, R. Folk, Phys. Rev. E 72, 031506 (2005) CrossRefADSGoogle Scholar
  24. W. Fenz, I.P. Omelyan, R. Folk, Phys. Rev. E 72, 056121 (2005) CrossRefADSGoogle Scholar
  25. W. Fenz, R. Folk, Phys. Rev. E 71, 046104 (2005) CrossRefADSGoogle Scholar
  26. R.O. Sokolovskii, Phys. Rev. B 61, 36 (2000) CrossRefADSGoogle Scholar
  27. S. Romano, R.O. Sokolovskii, Phys. Rev. B 61, 11379 (2000) MathSciNetCrossRefADSGoogle Scholar
  28. E. Lomba, M. Alvarez, L.L. Lee, N.G. Almarza, J. Chem. Phys. 104, 4180 (1996) CrossRefADSGoogle Scholar
  29. N.B. Wilding, F. Schmid, P. Nielaba, Phys. Rev. E 58, 2201 (1998) CrossRefADSGoogle Scholar
  30. G. Kahl, E. Schöll-Paschinger, A. Lang, Monatshefte für Chemie 132, 1413 (2001) Google Scholar
  31. E. Schöll-Paschinger, D. Levesque, J.J. Weis, G. Kahl, Phys. Rev. E 64, 011502 (2001) CrossRefADSGoogle Scholar
  32. G. Kahl, E. Schöll-Paschinger, G. Stell, J. Phys.: Condens. Matter 14, 9153 (2002) CrossRefADSGoogle Scholar
  33. O. Antonevych, F. Forstmann, E. Diaz-Herrera, Phys. Rev. E 65, 061504 (2002) CrossRefADSGoogle Scholar
  34. E. Schöll-Paschinger, G. Kahl, J. Chem. Phys. 118, 7414 (2003) CrossRefADSGoogle Scholar
  35. D. Pini, M. Tau, A. Parola, L. Reatto, Phys. Rev. E 67, 046116 (2003) CrossRefADSGoogle Scholar
  36. N.B. Wilding, Phys. Rev. E 67, 052503 (2003) CrossRefADSGoogle Scholar
  37. E. Schöll-Paschinger, G. Kahl, J. Chem. Phys. 123, 134508 (2005) CrossRefGoogle Scholar
  38. G. Pastore, R. Santin, S. Taraphder, F. Colonna, J. Chem. Phys. 122, 181104 (2005) CrossRefADSGoogle Scholar
  39. M. Blume, V.J. Emery, R.B. Griffiths, Phys. Rev. A 4, 1071 (1971) CrossRefADSGoogle Scholar
  40. A. Maciolek, M. Krech, S. Dietrich, Phys. Rev. E 69, 036117 (2004) CrossRefADSGoogle Scholar
  41. D.J. Tulimieri, J. Yoon, M.H.W. Chan, Phys. Rev. Lett. 82, 121 (1999) CrossRefADSGoogle Scholar
  42. B. Kraft, H. Alexander, Phys. Konden. Mater. 16, 281 (1973) Google Scholar
  43. T. Albrecht, C. Bührer, M. Fähnle, K. Maier, D. Platzek, J. Reske, Appl. Phys. A 65, 215 (1997) CrossRefADSGoogle Scholar
  44. J.D. Weeks, D. Chandler, H.C. Andersen, J. Chem. Phys. 54, 5237 (1971) CrossRefGoogle Scholar
  45. N. Choudhury, S.K. Ghosh, J. Chem. Phys. 116, 8517 (2002) CrossRefADSGoogle Scholar
  46. F. Lado, S.M. Foiles, N.W. Ashcroft, Phys. Rev. A 28, 2374 (1983) CrossRefADSGoogle Scholar
  47. G. Zerah, J.P. Hansen, J. Chem. Phys. 84, 2336 (1985) CrossRefADSGoogle Scholar
  48. C. Caccamo, P.V. Giaquinta, G. Giunta, J. Phys.: Condens. Matter 5, B75 (1993) Google Scholar
  49. C. Caccamo, Phys. Rep. 274, 1 (1996) CrossRefADSGoogle Scholar
  50. D.-M. Duh, A.D.J. Haymet, J. Chem. Phys. 103, 2625 (1995) CrossRefADSGoogle Scholar
  51. D.-M. Duh, D. Henderson, J. Chem. Phys. 104, 6742 (1996) CrossRefADSGoogle Scholar
  52. I. Omelyan, F. Hirata, A. Kovalenko, Phys. Chem. Chem. Phys. 7, 4132 (2005) CrossRefGoogle Scholar
  53. J.P. Hansen, I.R. McDonald, Theory of Simple Liquids, 2nd edn. (Academic, London, 1986) Google Scholar
  54. C.G. Gray, K.E. Gubbins, Theory of Molecular Fluids, Vol. 1 (Clarendon, Oxford, 1984) Google Scholar
  55. J.G. Kirkwood, J. Chem. Phys. 3, 300 (1935) zbMATHCrossRefGoogle Scholar
  56. A. Kovalenko, S. Ten-no, F. Hirata, J. Comput. Chem. 20, 928 (1999) CrossRefGoogle Scholar
  57. A.Z. Panagiotopoulos, Molec. Sim. 9, 1 (1992) Google Scholar
  58. A.M. Ferrenberg, R.H. Swendsen, Phys. Rev. Lett. 61, 2635 (1988); 63, 1195 (1989) CrossRefADSGoogle Scholar
  59. K. Binder, Rep. Prog. Phys. 60, 487 (1997) CrossRefADSGoogle Scholar
  60. A. Kovalenko, F. Hirata, Chem. Phys. Lett. 349, 496 (2001) CrossRefGoogle Scholar
  61. A. Kovalenko, F. Hirata, J. Chem. Phys. 110, 10095 (1999) CrossRefADSGoogle Scholar
  62. N.F. Carnahan, K.E. Starling, J. Chem. Phys. 51, 635 (1969) CrossRefGoogle Scholar
  63. B. Groh, S. Dietrich, Phys. Rev. Lett. 72, 2422 (1994) CrossRefADSGoogle Scholar
  64. P.H. von Konynenburg, R.L. Scott, Philos. Trans. R. Soc. London A 298, 495 (1980) ADSGoogle Scholar

Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2006

Authors and Affiliations

  • I. P. Omelyan
    • 1
    • 2
  • W. Fenz
    • 2
    Email author
  • R. Folk
    • 2
  • I. M. Mryglod
    • 1
    • 2
  1. 1.Institute for Condensed Matter PhysicsLvivUkraine
  2. 2.Institute for Theoretical Physics, Linz UniversityLinzAustria

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