Crossover from the rouse to the entangled polymer melt regime: Signals from long, detailed atomistic molecular dynamics simulations, supported by rheological experiments

Macromolecules

Volumn 36, Issue 4, 2003, Pages 1376-1387

  Harmandaris, V A ^a,b   Mavrantzas, V G ^a   Theodorou, D N ^a,b   Kroger M ^c,d,e   Ramirez J ^c,d   Ottinger, H C ^c,d   Vlassopoulos, D ^f  

^a INSTITUTE OF CHEMICAL ENGINEERING SCIENCES   (Greece)

^b UNIVERSITY OF PATRAS   (Greece)

^c ETH ZURICH   (Switzerland)

^d Swiss Rheocenter   (Switzerland)

^e TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^f INSTITUTE OF ELECTRONIC STRUCTURE AND LASER   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; DIFFUSION IN SOLIDS; FRICTION; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; RHEOLOGY; VISCOSITY;

SELF-DIFFUSION;

POLYETHYLENES;

EID: 0037465024     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma020009g     Document Type: Article

References (57)

1. Ferry, J. D. Viscoelastic Properties of Polymers; J. Wiley & Sons: New York, 1980. Berry, G. C.; Fox, T. G. Adv. Polym. Sci. 1968, 5, 261.
2. Ferry, J. D. Viscoelastic Properties of Polymers; J. Wiley & Sons: New York, 1980. Berry, G. C.; Fox, T. G. Adv. Polym. Sci. 1968, 5, 261.
3. Doi, M.; Edwards, S. F. The Theory of Polymer Dynamics; Clarendon Press: Oxford, England, 1986.
4. Rouse, P. E. J. Chem. Phys. 1953, 21, 1272.
5. Harnau, L.; Winkler, R. G.; Reineker, P. J. Chem. Phys. 1995, 102, 7750; 1996, 104, 6355.
6. Ronca, G. J. Chem. Phys. 1983, 79, 1031.
7. Hess, W. Macromolecules 1986, 19, 1395; 1988, 21, 2620.
8. des Cloizeau, J. J. Phys. I (Fr.) 1993, 3, 1523.
9. Schweizer, K. S. J. Chem. Phys. 1989, 91, 5802; 5822.
10. Perkins, T. T.; Smith, D. E.; Chu, S. Science 1994, 264, 819.
11. Schleger, P.; Farago, B.; Lartigue, C.; Kollmar, A.; Richter, D. Phys. Rev. Lett. 1998, 81, 124.
12. Richter, D.; Willner, L.; Zirkel, A.; Farago, B.; Fetters, L. J.; Huang, J. S. Phys. Rev. Lett. 1993, 71, 4158.
13. Richter, D.; Willner, L.; Zirkel, A.; Farago, B.; Fetters, L. J.; Huang, J. S. Macromolecules 1994, 27, 7437.
14. Richter, D.; Farago, B.; Fetters, L. J.; Huang, J. S.; Ewen, B.; Lartigue, C.; Phys. Rev. Lett. 1990, 64, 1389.
15. Paul, W.; Smith, G. D.; Yoon, D. Y.; Farago, B.; Rathgeber, S.; Zirkel, A.; Willner, L.; Richter, D. Phys. Rev. Lett. 1998, 80, 2346.
16. de Gennes, P. G. J. Phys. (Paris) 1981, 42, 735.
17. Graft, R.; Heuer, A.; Spiess, H. W. Phys. Rev. Lett. 1998, 80, 5738.
18. Evans, D. J.; Morris, G. P. Statistical Mechanics of Nonequilibrium Liquids; Academic Press: London, 1990.
19. Mondello, M.; Grest, G. S. J. Chem. Phys. 1997, 106, 9327.
20. Harmandaris, V. A.; Mavrantzas, V. G.; Theodorou, D. N. Macromolecules 1998, 31, 7934.
21. Paul, W.; Smith, G. D.; Yoon, Do Y. Macromolecules 1997, 30, 7772.
22. Padding, J. T.; Briels, W. J. J. Chem. Phys. 2001, 114, 8685; 2002, 117, 925.
23. Kremer, K.; Grest, G. S. J. Chem. Phys. 1990, 92, 5057.
24. Pütz, M.; Kremer, K.; Grest, G. S. Europhys. Lett. 2000, 49, 735.
25. Smith, S. W.; Hall, C. K.; Freeman, B. D. J. Chem. Phys. 1996, 104, 5616.
26. Kröger, M.; Hess, S. Phys. Rev. Lett. 2000, 85, 1128.
27. Pakula, T.; Geyler, S. Macromolecules 1987, 20, 2909.
28. Haire, K. R.; Carver, T. J.; Windle, A. H. Comput. Theor. Polym. Sci. 2001, 11, 17.
29. Kreitmeier, S.; Wittkop, M.; Trautenberg, H.; Holzl, T.; Goritz, D J. Comput. Phys. 1997, 133, 181.
30. Kreer, T.; Baschnagel, J.; Müller, M.; Binder, K Macromolecules 2001, 34, 1105.
31. Padding, J. T.; Briels, W. J. J. Chem. Phys. 2001, 115, 2846.
32. Dodd, L. R.; Theodorou, D. N. Adv. Polym. Sci. 1994, 116, 249.
33. Van der Ploeg, P.; Berendsen, H. J. J. Chem. Phys. 1982, 76, 3271.
34. Ryckaert, J. P.; Bellemans, A. Chem. Phys. Lett. 1975, 30, 123.
35. Ryckaert, J. P.; Ciccoti, G.; Berendsen, H. J. C. J. Comput. Phys. 1977, 101, 327.
36. Andersen, H. C. J. Comput. Phys. 1983, 52, 24.
37. Tuckerman, M. E.; Berne, B. J.; Martyna, G. J. J. Chem. Phys. 1992, 97, 1990.
38. Martyna, G. J.; Tuckerman, M. E.; Tobias, D. J.; Klein, M. L. Mol. Phys. 1996, 87, 1117.
39. Mavrantzas, V. G.; Boone, T. D.; Zervopoulou, E.; Theodorou, D. N. Macromolecules 1999, 32, 5072; Karayiannis, N. Ch.; Mavrantzas, V. G.; Theodorou, D. N. Phys. Rev. Lett. 2002, 88, 105503-1.
40. Mavrantzas, V. G.; Boone, T. D.; Zervopoulou, E.; Theodorou, D. N. Macromolecules 1999, 32, 5072; Karayiannis, N. Ch.; Mavrantzas, V. G.; Theodorou, D. N. Phys. Rev. Lett. 2002, 88, 105503-1.
41. Harmandaris, V. A.; Mavrantzas, V. G.; Theodorou, D. N. Macromelecules 2000, 33, 8062.
42. Kröger, M.; Ramírez, J.; Öttinger, H. C. Polymer 2002, 43, 477.
43. Bueche, F. Physical Properties of Polymers; Interscience: New York, 1962.
44. Harmandaris, V. A.; Doxastakis, M.; Mavrantzas, V. G.; Theodorou, D. N. J. Chem. Phys. 2002, 116, 436.
45. Frischeknecht, A. L.; Milner, S. T. Macromolecules 2000, 33, 5273. Milner, S. T.; McLeish, T. C. B. Phys. Rev. Lett. 1998, 81, 725.
46. Frischeknecht, A. L.; Milner, S. T. Macromolecules 2000, 33, 5273. Milner, S. T.; McLeish, T. C. B. Phys. Rev. Lett. 1998, 81, 725.
47. Lodge, T. P. Phys. Rev. Lett. 1999, 83, 3218. Tao, H.; Lodge, T. P.; von Meerwall, E. D. Macromolecules 2000, 33, 1747.
48. Lodge, T. P. Phys. Rev. Lett. 1999, 83, 3218. Tao, H.; Lodge, T. P.; von Meerwall, E. D. Macromolecules 2000, 33, 1747.
49. Pearson, D. S.; Ver Strate, G.; von Meerwall, E.; Schilling, F. C. Macromolecules 1987, 20, 1133. Pearson, D. S.; Fetters, L. J.; Graessley, W. W.; Ver Strate, G.; von Meerwall, E. Macromolecules 1994, 27, 711.
50. Pearson, D. S.; Ver Strate, G.; von Meerwall, E.; Schilling, F. C. Macromolecules 1987, 20, 1133. Pearson, D. S.; Fetters, L. J.; Graessley, W. W.; Ver Strate, G.; von Meerwall, E. Macromolecules 1994, 27, 711.
51. Crist, B.; Green, P. F.; Jones, R. A. L.; Kramer, E. J. Macromolecules 1989, 22, 2857.
52. von Seggern, J.; Klotz, S.; Cantow, H.-J. Macromolecules 1991, 24, 3300.
53. Smith, G. D.; Paul, W.; Monkenbush, M.; Richter, D. J. Chem. Phys. 2001, 114, 4285.
54. Smith, G. D.; Paul, W.; Monkenbush, M.; Willner, L.; Richter, D.; Qiou, X. H.; Ediger, M. D. Macromolecules 1999, 32, 8857.
55. Vlassopoulos, D. Unpublished data.
56. Mavrantzas, V. G.; Öttinger, H. C. Macromolecules 2002, 35, 960. Mavrantzas, V. G.; Theodorou, D. N. Macromolecules 1998, 31, 6310.
57. Mavrantzas, V. G.; Öttinger, H. C. Macromolecules 2002, 35, 960. Mavrantzas, V. G.; Theodorou, D. N. Macromolecules 1998, 31, 6310.