Chain dynamics and conformational transition in cis-polyisoprene: Comparison between melt and subglass state by molecular dynamics simulations

Journal of Chemical Physics

Volumn 113, Issue 10, 2000, Pages 4433-4443

  Fukuda, Mitsuhiro ^a   Kikuchi, Hiroaki ^b  

^a HYOGO UNIVERSITY OF TEACHER EDUCATION   (Japan)

^b NOK CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; CORRELATION METHODS; GLASS TRANSITION; POLYISOPRENES;

ORIENTATION AUTOCORRELATION FUNCTIONS (OACF); TORSIONAL ANGLE AUTOCORRELATION FUNCTIONS (TACF);

MOLECULAR DYNAMICS;

EID: 0034622770     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1288023     Document Type: Article

References (32)

1. B. F. Chmelka, K. Schmidt-Rohr, and H. W. Spiess, Macromolecules 26, 2282 (1993): H. Ishida, H. Kaji, and F. Horii, ibid. 30, 5799 (1997); M. H. Sherwood, G. Sigaud, D. Y. Yoon, C. G. Wade, M. Kawasumi, and V. Percec, Mol. Cryst. Liq. Cryst. 254, 455 (1994).
2. B. F. Chmelka, K. Schmidt-Rohr, and H. W. Spiess, Macromolecules 26, 2282 (1993): H. Ishida, H. Kaji, and F. Horii, ibid. 30, 5799 (1997); M. H. Sherwood, G. Sigaud, D. Y. Yoon, C. G. Wade, M. Kawasumi, and V. Percec, Mol. Cryst. Liq. Cryst. 254, 455 (1994).
3. B. F. Chmelka, K. Schmidt-Rohr, and H. W. Spiess, Macromolecules 26, 2282 (1993): H. Ishida, H. Kaji, and F. Horii, ibid. 30, 5799 (1997); M. H. Sherwood, G. Sigaud, D. Y. Yoon, C. G. Wade, M. Kawasumi, and V. Percec, Mol. Cryst. Liq. Cryst. 254, 455 (1994).
4. R. J. Roe, Adv. Polym. Sci. 116, 111 (1994).
5. P. V. Pant, J. Han, D. G. Smith, and R. H. Boyd, J. Chem. Phys. 99, 597 (1993).
6. R. H. Boyd, R. H. Gee, J. Han, and Y. Jin, J. Chem. Phys. 101, 788 (1994).
7. Y. Jin and R. H. Boyd, J. Chem. Phys. 108, 9912 (1998).
8. C. Baysal, A. R. Atilgan, B. Erman, and I. Bahar, Macromolecules 29, 2510 (1996).
9. I. Bahar, B. Erman, and L. Monnerie, Adv. Polym. Sci. 116, 145 (1994).
10. G. D. Smith, D. Y. Yoon, and R. L. Jaffe, Macromolecules 28, 5897 (1995).
11. E-G. Kim and W. L. Mattice, J. Chem. Phys. 101, 6242 (1994).
12. Y. Zhan and W. L. Mattice, Macromolecules 25, 1554 (1992); J. Chem. Phys. 96, 3279 (1992).
13. Y. Zhan and W. L. Mattice, Macromolecules 25, 1554 (1992); J. Chem. Phys. 96, 3279 (1992).
14. N. E. Moe and M. D. Ediger, Polymer 37, 1787 (1996).
15. N. E. Moe and M. D. Ediger, Macromolecules 29, 5484 (1996).
16. H. Kikuchi, K. Seki, S. Kuwajima, and N. Okui, Bull. Chem. Soc. Jpn. 72, 1203 (1999).
17. E. Helfand and J. Skolnick, J. Chem. Phys. 77, 5714 (1982); T. A. Weber and E. Helfand, J. Phys. Chem. 87, 2881 (1983).
18. E. Helfand and J. Skolnick, J. Chem. Phys. 77, 5714 (1982); T. A. Weber and E. Helfand, J. Phys. Chem. 87, 2881 (1983).
19. H. Kikuchi, S. Kuwajima, M. Fukuda, and N. Okui, JCPE J. 12, 33 (2000) (in Japanese).
20. S. Nose, J. Chem. Phys. 81, 511 (1984); W. G. Hoover, Phys. Rev. A 31, 1695 (1985).
21. S. Nose, J. Chem. Phys. 81, 511 (1984); W. G. Hoover, Phys. Rev. A 31, 1695 (1985).
22. H. C. Andersen, J. Chem. Phys. 72, 2384 (1980).
23. Y. Abe and P. J. Flory, Macromolecules 4, 230 (1971).
24. M. Bruzzone and E. Sorta, Rubber Chem. Technol. 52, 207 (1979).
25. M. Fukuda and S. Kuwajima, J. Chem. Phys. 108, 3001 (1998).
26. G. M. Michel, in Order in the Amorphous State of Polymers, edited by S. E. Keinath, R. L. Millaer, and J. K. Rieke (Plenum, New York, 1987).
27. J. E. Mark, J. Am. Chem. Soc. 88, 4354 (1966), 89, 6829 (1967).
28. J. E. Mark, J. Am. Chem. Soc. 88, 4354 (1966), 89, 6829 (1967).
29. Polymer Handbook, 3rd ed., edited by J. Brandrup and E. H. Immergut (Wiley, New York, 1989).
30. D. Y. Yoon, G. D. Smith, and T. Matsuda, J. Chem. Phys. 98, 10037 (1993).
31. M. Andreis, J. Liu, and J. L. Koenic, Rubber Chem. Technol. 62, 82 (1989).
32. J. H. R. Clarke and D. Brown, Mol. Phys. 58, 815 (1986).