Phase behavior and particle size cutoff effects in polydisperse fluids

Journal of Chemical Physics

Volumn 125, Issue 1, 2006, Pages

  Wilding, Nigel B ^a   Sollich, Peter ^b   Fasolo, Moreno ^b   Buzzacchi, Matteo ^a  

^a University of Bath   (United Kingdom)

^b KING'S COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FRACTIONATION; FREE ENERGY; MONTE CARLO METHODS; PARTICLE SIZE ANALYSIS; PHASE EQUILIBRIA;

ISOTHERMAL DILUTION LINES; MOMENT FREE ENERGY; PARTICLE DIAMETERS; PHASE BEHAVIOR;

DISPERSIONS;

EID: 33745777578     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2208358     Document Type: Article

References (61)

1. R. G. Larson, The Structure and Rheology of Complex Fluids (Oxford University Press, New York, 1999).
2. G. H. Fredrickson, Nature (London) 395, 323 (1998).
3. W. B. Russel, D. A. Saville, and W. R. Schowalter, Colloidal Dispersions (Cambridge University Press, Cambridge, 1989).
4. J. A. Gualtieri, J. M. Kincaid, and G. Morrison, J. Chem. Phys. 77, 521 (1982).
5. For a review, see P. Sollich, J. Phys.: Condens. Matter 14, R79 (2002).
6. R. M. L. Evans, D. J. Fairhurst, and W. C. K. Poon, Phys. Rev. Lett. 81, 1326 (1998).
7. R. M. L. Evans, Phys. Rev. E 59, 3192 (1999);
8. J. Chem. Phys. 114, 1915 (2001).
9. A. van Heukelum, G. T. Barkema, M. W. Edelman, E. van der Linden, E. H. A. de Hoog, and R. H. Tromp, Macromolecules 36, 6662 (2003).
10. R. S. Shresth, R. C. McDonald, and S. C. Greer, J. Chem. Phys. 117, 9037 (2002).
11. M. W. Edelman, E. van der Linden, and R. H. Tromp, Macromolecules 336, 7783 (2003).
12. D. J. Fairhurst and R. M. L. Evans, Colloid Polym. Sci. 282, 766 (2004).
13. B. H. Erné, E. van den Pol, G.-J. Vroege, T. Visser, and H. H. Wensink, Langmuir 21, 1802 (2005).
14. N. B. Wilding, M. Fasolo, and P. Sollich, J. Chem. Phys. 121, 6887 (2004);
15. N. B. Wilding and P. Sollich, Europhys. Lett. 67, 219 (2004).
16. J. J. Salacuse and G. Stell, J. Chem. Phys. 77, 3714 (1982).
17. R. Kita, K. Kubota, and T. Dobashi, Phys. Rev. E 56, 3213 (1997).
18. An exception is F. Escobedo, J. Chem. Phys. 115, 5653 (2001).
19. M. R. Stapleton, D. J. Tildesley, and N. Quirke, J. Chem. Phys. 92, 4456 (1990).
20. P. G. Bolhuis and D. A. Kofke, Phys. Rev. E 54, 634 (1996);
21. D. A. Kofke and P. G. Bolhuis, Phys. Rev. E ibid. 59, 618 (1999).
22. D. A. Kofke, J. Chem. Phys. 98, 4149 (1993).
23. T. Kristóf and J. Liszi. Mol. Phys. 99, 167 (2001).
24. S. Pronk and D. Frenkel, Phys. Rev. E 69, 066123 (2004).
25. M. A. Bates and D. Frenkel, J. Chem. Phys. 109, 6193 (1998).
26. F. Escobedo, J. Chem. Phys. 115, 5642 (2001).
27. N. B. Wilding and P. Sollich, J. Chem. Phys. 116, 7116 (2002).
28. N. B. Wilding, J. Chem. Phys. 119, 12163 (2003).
29. H. Xu and M. Baus, Phys. Rev. E 61, 3249 (2000).
30. P. Sollich, P. B. Warren, and M. E. Cates, Adv. Chem. Phys. 116, 265 (2001).
31. L. Bellier-Castella, H. Xu, and M. Baus, J. Chem. Phys. 113, 8337 (2000).
32. A. Speranza and P. Sollich, J. Chem. Phys. 118, 5213 (2003).
33. N. Clarke, J. A. Cuesta, R. Sear, P. Sollich, and A. Speranza, J. Chem. Phys. 113, 5817 (2000).
34. A. Speranza and P. Sollich, J. Chem. Phys. 117, 5421 (2002).
35. M. Fasolo and P. Sollich, Phys. Rev. Lett. 91, 068301 (2003).
36. Y. V. Kalyuzhnyi and G. Kahl, J. Chem. Phys. 119, 7335 (2003).
37. Y. V. Kalyuzhnyi, G. Kahl, and P. T. Cummings, J. Chem. Phys. 120, 10133 (2004).
38. C. Rascón and M. E. Cates, J. Chem. Phys. 118, 4312 (2003).
39. A short description of some aspects of this work has previously appeared elsewhere: N. B. Wilding, P. Sollich, and M. Fasolo, Phys. Rev. Lett. 95, 155701 (2005).
40. G. V. Schulz, Z. Phys. Chem. Abt. B 43, 25 (1939);
41. B. H. Zimm, J. Chem. Phys. 16, 1099 (1948).
42. M. E. McDonnell and A. M. Jamieson, J. Appl. Polym. Sci. 21, 3261 (2003).
43. L. Kvitek, R. Prucek, A. Panacek, R. Novotny, J. Hrbac, and R. Zboril, J. Mater. Chem. 15, 1099 (2005).
44. M. Buzzacchi, P. Sollich, N. B. Wilding, and M. Müller, Phys. Rev. E 73, 046110 (2006); the method used in the present work was termed "method B" in this paper.
45. C. Borgs and W. Janke, Phys. Rev. Lett. 68, 1738 (1992);
46. C. Borgs and R. Kotecky, Phys. Rev. Lett. ibid. 68, 1734 (1992).
47. A. M. Ferrenberg and R. H. Swendsen. Phys. Rev. Lett. 63, 1195 (1989).
48. B. Berg and T. Neuhaus, Phys. Rev. Lett. 68, 9 (1992).
49. N. B. Wilding, Am. J. Phys. 69, 1147 (2001).
50. T. Boublík, J. Chem. Phys. 53, 471 (1970).
51. G. A. Mansoori, N. F. Carnahan, K. E. Starling, and T. W. Leland, J. Chem. Phys. 54, 1523 (1971).
52. N. B. Wilding, Phys. Rev. E 52, 602 (1995).
53. K. Binder, Phys. Rev. A 25, 1699 (1982).
54. L. Bellier-Castella, H. Xu, and M. Baus, Phys. Rev. E 65, 021503 (2002).
55. Effects on phase coexistence due to the choice of cutoff have also been reported in a theoretical study by L. Bellier-Castella, M. Baus, and H. Xu, J. Chem. Phys. 115, 3381 (2001). However, the trends observed in this work are opposite to those seen here.
56. K. Sole, Macromolecules 8, 819 (1975).
57. M. Fasolo and P. Sollich, Phys. Rev. E 70, 041410 (2004).
58. K. Binder, Physica A 319, 99 (2003).
59. We note that in the limit of large polydispersities, freezing of polydisperse hard spheres into multiple fractionated solids is predicted to occur at arbitrarily low densities: R. P. Sear, Phys. Rev. Lett. 82, 4244 (1999). However, the relationship of this phenomenon to the overall phase behavior was not considered.
60. R. Kita, K. Kubota, and T. Dobashi, Phys. Rev. E 58, 793 (1998).
61. J. P. Hansen and I. R. MacDonald, Theory of Simple Liquids (Academic, New York, 1986).