Collapse of a ring polymer: Comparison of Monte Carlo and Born-Green-Yvon integral equation results

Journal of Chemical Physics

Volumn 106, Issue 12, 1997, Pages 5181-5188

  Taylor, Mark P ^a   Mar, James L ^a   Lipson, J E G ^a  

^a Dartmouth College ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0005552148     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473517     Document Type: Article

References (50)

1. P. J. Flory, Principles of Polymer Chemistry (Cornell University Press, Ithaca, 1953).
2. A. Yu. Grosberg and A. R. Khokhlov, Statistical Physics of Macromolecules (AIP, New York, 1994).
3. A. Baumgartner, J. Chem. Phys. 72, 871 (1980).
4. I. Webman, J. L. Lebowitz, and M. H. Kalos, Macromolecules 14, 1495 (1981).
5. M. Bishop and J. P. J. Michels, J. Chem. Phys. 84, 447 (1986).
6. N. Karasawa and W. A. Goddard III, J. Phys. Chem. 92, 5828 (1988).
7. A. Milchev, W. Paul, and K. Binder, J. Chem. Phys. 99, 4786 (1993).
8. G. Tanaka and W. L. Mattice, Macromolecules 28, 1049 (1995).
9. J. Ma, J. E. Straub, and E. I. Shakhnovich, J. Chem. Phys. 103, 2615 (1995).
10. M. Wittkop, S. Kreitmeier, and D. Goritz, J. Chem. Phys. 104, 3373 (1996); this article contains an extensive set of references regarding the collapse transition.
11. Y. Zhou, M. Karplus, J. M. Wichert, and C. K. Hall (unpublished).
12. Y. Zhou, C. K. Hall, and M. Karplus, Phys. Rev. Lett. 77, 2822 (1996).
13. M. C. Tesi, E. J. Janse van Rensburg, E. Orlandini, and S. G. Wittington, J. Phys. A 29, 2451 (1996).
14. I. Nishio, S.-T. Sun, G. Swislow, and T. Tanaka, Nature 281, 208 (1979).
15. S.-T. Sun, I. Nishio, G. Swislow, and T. Tanaka, J. Chem. Phys. 73, 5971 (1980).
16. P. Stepanek, C. Konak, and B. Sedlacek, Macromolecules 15, 1214 (1982).
17. P. Vidakovic and F. Rondelez, Macromolecules 17, 418 (1984).
18. I. H. Park, Q.-W. Wang, and B. Chu, Macromolecules 20, 1965 (1987).
19. B. Chu, I. H. Park, Q.-W. Wang, and C. Wu, Macromolecules 20, 2833 (1987).
20. K. Kubota, S. Fujishige, and I. Ando, J. Phys. Chem. 94, 5154 (1990).
21. M. Nakata, Phys. Rev. E 51, 5770 (1995).
22. C. Wu and S. Zhou, Phys. Rev. Lett. 77, 3053 (1996).
23. J. Naghizadeh, J. Chem. Phys. 48, 1961 (1968); J. Naghizadeh and N. K. Ailawadi, ibid. 63, 650, 657 (1975).
24. J. Naghizadeh, J. Chem. Phys. 48, 1961 (1968); J. Naghizadeh and N. K. Ailawadi, ibid. 63, 650, 657 (1975).
25. J. G. Curro, P. J. Blatz, and C. J. Pings, J. Chem. Phys. 50, 2199 (1969).
26. B. C. Eu and H. H. Gan, J. Chem. Phys. 99, 4084 (1993); H. H. Gan and B. C. Eu, ibid. 99, 4103 (1993); 100, 5922 (1994).
27. B. C. Eu and H. H. Gan, J. Chem. Phys. 99, 4084 (1993); H. H. Gan and B. C. Eu, ibid. 99, 4103 (1993); 100, 5922 (1994).
28. B. C. Eu and H. H. Gan, J. Chem. Phys. 99, 4084 (1993); H. H. Gan and B. C. Eu, ibid. 99, 4103 (1993); 100, 5922 (1994).
29. P. Attard, J. Chem. Phys. 102, 5411 (1995).
30. M. P. Taylor and J. E. G. Lipson, J. Chem. Phys. 104, 4835 (1996).
31. S. G. Whittington and L. G. Dunfield, J. Phys. A 6, 484 (1973).
32. N. Madras, A. Orlitsky, and L. A. Shepp, J. Stat. Phys. 58, 159 (1990).
33. A. Baumgartner, J. Chem. Phys. 76, 4275 (1982).
34. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
35. Y. Chen, J. Chem. Phys. 75, 5160 (1981). As noted in Ref. 38, the algorithm used in this work yields a slightly biased distribution of ring conformations.
36. A. D. Sokal, in Monte Carlo and Molecular Dynamics Simulations in Polymer Science, edited by K. Binder (Oxford University Press, Oxford, 1995), Chap. 2.
37. J. Dautenhahn and C. K. Hall, Macromolecules 27, 5399 (1994).
38. M. P. Taylor, Mol. Phys. 86, 73 (1995).
39. B. H. Zimm and W. H. Stockmayer, J. Chem. Phys. 17, 1301 (1949).
40. J. M. Wiehert and C. K. Hall, Macromolecules 27, 2744 (1994).
41. J. M. Garcia Bernal, M. M. Tirado, J. J. Freire, and J. Garcia de la Torre, Macromolecules 23, 3357 (1990); 24, 593 (1991).
42. J. M. Garcia Bernal, M. M. Tirado, J. J. Freire, and J. Garcia de la Torre, Macromolecules 23, 3357 (1990); 24, 593 (1991).
43. A. M. Rubio, J. J. Freire, M. Bishop, and J. H. R. Clarke, Macromolecules 28, 2240 (1995).
44. J. F. Douglas and K. F. Freed, Macromolecules 17, 2344 (1984).
45. J. S. Higgins, K. Dodgson, and J. A. Semlyen, Polymer 20, 553 (1979).
46. M. Ragnetti, D. Geiser, H. Hocker, and R. C. Oberthur, Makromol. Chem. 186, 1701 (1985).
47. J. Roovers and P. M. Toporowski, Macromolecules 16, 843 (1983); J. Roovers, J. Polym. Sci. Polym. Phys. Ed. 23, 1117 (1985).
48. J. Roovers and P. M. Toporowski, Macromolecules 16, 843 (1983); J. Roovers, J. Polym. Sci. Polym. Phys. Ed. 23, 1117 (1985).
49. G. Hild, C. Strazielle and P. Rempp, Eur. Polym. J. 19, 721 (1983).
50. P. Lutz, G. B. McKenna, P. Rempp, and C. Strazielle, Makromol. Chem. Rapid Commun. 7, 599 (1986).