Transport phenomena and microscopic structure in partially miscible binary fluids: A simulation study of the symmetrical Lennard-Jones mixture

Journal of Chemical Physics

Volumn 119, Issue 3, 2003, Pages 1547-1558

  Das, Subir K ^a   Horbach, Jürgen ^a   Binder, Kurt ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHASE DIAGRAMS; SOLUBILITY;

BINARY FLUIDS;

BINARY MIXTURES;

EID: 0043268801     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1580106     Document Type: Article

References (63)

1. J. P. Boon and S. Yip, Molecular Hydrodynamics (McGraw-Hill. New York, 1980).
2. J.-P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, London, 1986).
3. J. P. Hansen, D. Levesque, and J. Zinn-Justin, in Liquids, Freezing, and the Glass Transition (North-Holland, Amsterdam, 1991).
4. U. Balucani and M. Zoppi, Dynamics of the Liquid State (Oxford University Press, Oxford, 1994).
5. C. Hoheisel, Theoretical Treatment of Liquids and Liquid Mixtures (Elsevier, Amsterdam, 1993).
6. G. Ciccotti and G. G. Hoover, in Molecular Dynamics Simulations of Statistical Mechanical System (North-Holland, Amsterdam, 1986).
7. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford. 1987).
8. D. C. Rapaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, Cambridge, 1995).
9. K. Binder and G. Ciccotti, in Monte Carlo and Molecular Dynamics of Condensed Mailer Systems (Società Italiana di Fisica, Bologna, 1996).
10. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic, San Diego, 2002).
11. K. Binder, in Computational Modelling of Polymers, edited by J. Bicerano (Dekker, New York, 1992).
12. M. P. Allen and D. J. Tildesley, in Computer Simulations in Chemical Physics (Kluwer, Dordrecht, 1993).
13. K. Binder, in Monte Carlo and Molecular Dynamics Simulations in Polymer Science (Oxford University Press, New York, 1995).
14. M. Baus, L. F. Rull, and J.-P. Ryckaert, in Observation, Prediction and Simulation of Phase Transitions in Complex Fluids (Kluwer, Dordrecht, 1995).
15. J. S. Rowlinson and F. L. Swinton, Liquids and Liquid Mixtures (Butter-worths, London, 1982).
16. A. Sariban and K. Binder, J. Chem. Phys. 86, 5859 (1987).
17. D. A. Kofke and E. D. Glandt, Mol. Phys. 64, 1105 (1988).
18. A. Z. Panagiotopolous, N. Quirke, M. R. Stapleton, and D. J. Tildesley, Mol. Phys. 63, 527 (1988).
19. J. G. Amar, Mol. Phys. 4, 739 (1989).
20. A. Z. Panagiotopolous, Int. J. Thermophys. 10, 447 (1989).
21. M. E. van Leeuwen, C. J. Peter, J. D. Arons, and A. Z. Panagiotopolous, Fluid Phase Equilib. 66, 57 (1991).
22. V. I. Harismiadis, N. K. Koutras, D. P. Tassios, and A. Z. Panagiotopoulos, Fluid Phase Equilib. 65, 1 (1991).
23. R. D. Mountain and A. H. Harvey, J. Chem. Phys. 94, 2238 (1991).
24. W. G. T. Kranendonk and D. Frenkel, Mol. Phys. 72, 699 (1991).
25. H.-P. Deutsch and K. Binder, Macromolecules 25, 6214 (1992).
26. A. Z. Panagiotopoulos, Mol. Simul. 9, 1 (1992).
27. M. Müller and K. Binder, Macromolecules 28, 1825 (1995).
28. E. de Miguel, E. Martin del Rio, and M. M. Telo da Gama, J. Chem. Phys. 103, 6188 (1995).
29. M. Müller and N. B. Wilding, Phys. Rev. E 51, 2079 (1995).
30. N. B. Wilding, in Annual Reviews of Computational Physics IV, edited by D. Stauffer (World Scientific, Singapore, 1996), p. 37.
31. N. B. Wilding, J. Phys.: Condens. Matter 8, 9637 (1996).
32. N. B. Wilding, Phys. Rev. E 55, 6624 (1997).
33. M.-O Ihm, F. Schneider, and P. Nielaba, Prog. Colloid Polym. Sci. 104, 166 (1997).
34. F. A. Escobedo, J. Chem. Phys. 110, 11999 (1999).
35. M. Asta, D. Morgan, J. J. Hoyt, B. Sadigh, J. D. Althoff, D. de Fontaine, and S. M. Foiles, Phys. Rev. B 59, 14271 (1999).
36. P. Virnau, M. Müller, L. G. MacDowell, and K. Binder, Comput. Phys. Commun. 147, 378 (2002).
37. G. Jacucci and I. R. MacDonald, Physica A 80, 607 (1975).
38. M. Schoen and C. Hoheisel, Mol. Phys. 52, 1029 (1984).
39. R. Vogelsang and C. Hoheisel, Phys. Rev. A 98, 6296 (1988).
40. H. Luo, C. Hoheisel, and J. Karkheck, Phys. Rev. A 42, 4609 (1990).
41. H. P. van den Berg and C. Hoheisel, Phys. Rev. A 42, 3368 (1990).
42. C. Hoheisel and G. Stell, Chem. Liq. 24, 63 (1991).
43. W. Kob and H. C. Andersen, Phys. Rev. E 51, 4626 (1995); 52, 4134 (1995).
44. W. Kob and H. C. Andersen, Phys. Rev. E 51, 4626 (1995); 52, 4134 (1995).
45. W. Kob, J. Phys.: Condens. Matter 11, R85 (1999).
46. W. Kob, Proc. Les Houches 2002 (to be published).
47. K. Binder, Phys. Rev. Lett. 45, 811 (1980).
48. K. Binder, J. L. Lebowitz, M. R. Phani, and M. H. Kalos, Acta Metall. 29, 1655 (1981).
49. F. Schmid and K. Binder, J. Phys.: Condens. Matter 4, 3569 (1992).
50. K. Binder, in Statics and Dynamics of Alloy Phase Transformations, edited by P. E. A. Turchi and A. Ganis (Plenum, New York, 1994), p. 467.
51. B. Dünweg and D. P. Landau, Phys. Rev. B 48, 14182 (1993).
52. D. P. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics (Cambridge University Press, Cambridge, 2000).
53. P. C. Hohenberg and B. I. Halperin, Rev. Mod. Phys. 49, 435 (1977).
54. Monte Carlo Simulations in Statistical Physics, edited by K. Binder (Springer-Verlag, Berlin, 1979), p. 1.
55. L. P. Kadanoff and P. C. Martin, Ann. Phys. (N.Y.) 24, 419 (1963).
56. R. H. Swendsen and J. S. Wang, Phys. Rev. Lett. 58, 86 (1987).
57. U. Wolff, Phys. Rev. Lett. 62, 361 (1989).
58. A. B. Bhatia and D. E. Thornton, Phys. Rev. B 52, 3004 (1970).
59. J. M. Ziman, Models of Disorder (Cambridge University Press, Cambridge, 1979).
60. G. Jacucci and I. R. McDonald, Physica A 80, 607 (1975).
61. K. W. Kehr, K. Binder, and S. Reulein, Phys. Rev. B 39, 4891 (1989).
62. J. Horbach and W. Kob, Phys. Rev. E 64, 041503 (2001).
63. L. Landau and E. Lifshitz, Fluid Mechanics (Pergamon, Oxford, 1987).