Extended rotational isomeric model for describing the long time dynamics of polymers

Journal of Chemical Physics

Volumn 105, Issue 9, 1996, Pages 3823-3837

  Guenza, Marina ^a,b,c   Freed, Karl F ^b  

^a CNR   (Italy)

^b UNIVERSITY OF CHICAGO   (United States)

^c UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BROWNIAN MOVEMENT; CHEMICAL BONDS; COMPUTER SIMULATION; CONFORMATIONS; CORRELATION METHODS; EIGENVALUES AND EIGENFUNCTIONS; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; POLYMERS; STATISTICAL MECHANICS; VARIATIONAL TECHNIQUES;

BOND ANGLES; DIFFUSION EQUATIONS; EXTENDED ROTATIONAL ISOMERIC MODEL; GENERALIZED LANGEVIA EQUATIONS; LIOUVILLE OPERATORS; MATRIX EXPANSION METHOD;

MOLECULAR DYNAMICS;

EID: 0030242340     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472203     Document Type: Article

References (50)

1. J. D. Ferry, Viscoelastic Properties of Polymers (Wiley, New York, 1970).
2. R. T. Bailey, A. M. North, and R. A. Pethrick, Molecular Motion in High Polymers (Clarendon, Oxford, 1981).
3. H. Yamakawa, Modern Theory of Polymer Solutions (Harper and Row, New York, 1971).
4. M. Doi and S. F. Edwards, The Theory of Polymer Dynamics (Clarendon, Oxford, 1986).
5. A. Perico and M. Guenza, J. Chem. Phys. 83, 3103 (1985).
6. A. Perico and M. Guenza, J. Chem. Phys. 84, 510 (1986).
7. A. Perico, J. Chem. Phys. 88, 3996 (1998).
8. G. D. Smith, D. Y. Yoon, and R. L. Jaffe, Macromolecules 28, 5897 (1995).
9. M. D. Ediger and D. B. Adolf, Adv. Polym. Sci. 116, 73 (1994).
10. X. Y. Chang and K. F. Freed, J. Chem. Phys. 99, 8016 (1993).
11. W. H. Tang, X. Y. Chang, and K. F. Freed, J. Chem. Phys. 103, 9492 (1995).
12. X. Y. Chang and K. F. Freed, J. Chem. Phys. 104, 3092 (1996).
13. H. Risken, The Fokker-Planck Equation: Methods of Solution and Applications (Springer, New York, 1989).
14. R. Kubo, M. Toda, and N. Hashitsume, Statistical Physics II (Springer, Berlin, 1991).
15. M. Bixon, J. Chem. Phys. 58, 1459 (1973).
16. R. Zwanzig, J. Chem. Phys. 60, 2717 (1974).
17. M. Bixon and R. Zwanzig, J. Chem. Phys. 68, 1896 (1978).
18. Y. Hu, K. Kostov, A. Perico, S. Smithline, and K. F. Freed, J. Chem. Phys. 103, 9091 (1995).
19. A. Perico, R. Pratolongo, K. F. Freed, and A. Szabo, J. Chem. Phys. 102, 4683 (1995).
20. R. Pratolongo, A. Perico, K. F. Freed, R. W. Pastor, and A. Szabo, J. Chem. Phys. 98, 564 (1993).
21. X. Y. Chang and K. F. Freed, Chem. Eng. Sci. 49, 2821 (1994).
22. P. J. Flory, Statistical Mechanics of Chain Molecules (Interscience, New York, 1969).
23. D. Y. Yoon, P. R. Sundararajan, and P. J. Flory, Macromolecules 8, 776 (1975).
24. D. Y. Yoon, U. W. Suter, P. R. Sundararajan, and P. J. Flory, Macromolecules 8, 784 (1975).
25. A. Perico, F. Ganazzoli, and A. Allegra, J. Chem. Phys. 87, 3677 (1987).
26. G. J. Moro, J. Chem. Phys. 94, 8577 (1991).
27. I. Bahar, B. Erman, and L. Monnerie, Adv. Polym. Sci. 116, 145 (1994).
28. L. W. Mattice and U. Suter, Confonnational Theory of Large Molecules: The Rotational Isomeric State Model in Macromolecular Systems (Wiley, New York, 1994).
29. P. H. Verdier and W. H. Stockmayer, J. Chem. Phys. 36, 227 (1962).
30. C. K. Hall and E. Helfand, J. Chem. Phys. 77, 3275 (1982).
31. E. Dubois-Violette, F. Geny, L. Monnerie, and O. Parodi, J. Chem. Phys. 66, 1865 (1969).
32. B. Cartling, J. Chem. Phys. 87, 2638 (1987).
33. B. Cartling, J. Chem. Phys. 91, 427 (1989).
34. M. Guenza, M. Mormino, and A. Perico, Macromolecules 24, 6168 (1991).
35. M. Guenza and A. Perico, Macromolecules 26, 4196 (1993).
36. A. Perico, M. Guenza, M. Mormino, and R. Fioravanti, Biopolymers 35, 47 (1995).
37. J. P. Hansen and I. R. McDonald, Jr., Theory of Simple Liquids (Academic, London, 1986).
38. K. Kostov and K. F. Freed (private communication).
39. G. D. Smith, R. L. Jaffe, and D. Y. Yoon, Macromolecules 28, 5804 (1995).
40. S. Shin, N. Collazo, and S. Rice, J. Chem. Phys. 96, 1352 (1992).
41. V. Gunsteren and H. J. C. Berendsen, GROMOS Manual, University of Groningen.
42. J. P. Ryckaert and A. Bellemans, J. Chem. Soc. Faraday Discuss. 66, 95 (1978).
43. M. Guenza and A. Perico, Macromolecules 25, 5942 (1992).
44. C. Baysal, A. R. Atigal, B. Erman, and I. Bahar, Macromolecules 29, 2510 (1996).
45. E. G. Kim and W. L. Mattice, J. Chem. Phys. 101, 6242 (1994).
46. X. Y. Chang and K. F. Freed (unpublished results).
47. G. D. Smith and D. Y. Yoon, J. Chem. Phys. 100, 649 (1994).
48. K. F. Freed, Renonnalization Group Theory of Macromolecules (Wiley, New York, 1987).
49. A. Miyake and K. F. Freed, Macromolecules 16, 1228 (1983).
50. A. Miyake and K. F. Freed, Macromolecules, 14, 678 (1984).