Chain-length dependence of the segmental relaxation in polymer melts: Molecular dynamics simulation studies on poly(propylene oxide)

Macromolecules

Volumn 43, Issue 21, 2010, Pages 8985-8992

  Bormuth, A ^a   Henritzi, P ^a   Vogel, M ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALL-ATOM FORCE FIELD; CHAIN-ENDS; CHAIN-LENGTH DEPENDENCE; CHARACTERISTIC RATIO; DEGREE OF POLYMERIZATION; FREE-VOLUME THEORY; GAUSSIANS; HIGH TEMPERATURE; INTERMEDIATE SCATTERING FUNCTIONS; LIMITING VALUES; LOW TEMPERATURES; MASTER CURVE; MOLECULAR DYNAMICS SIMULATIONS; MONOMER UNITS; SEGMENTAL RELAXATION; TEMPERATURE DEPENDENCE; TEMPERATURE DEPENDENT; TIME TEMPERATURE SUPERPOSITION; TIME-SCALES; VOGEL-FULCHER-TAMMANN BEHAVIORS;

INCOHERENT SCATTERING; MOLECULAR WEIGHT; POLYMER MELTS; PROPYLENE; RELAXATION PROCESSES; SCALES (WEIGHING INSTRUMENTS);

MOLECULAR DYNAMICS;

EID: 78149242663     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma101721d     Document Type: Article

References (77)

1. Fox, T. G.; Flory, P. J. J. Appl. Phys. 1950, 21, 581-591
2. Fox, T. G.; Flory, P. J. J. Polym. Sci. 1954, 14, 351-319
3. Amorphous Materials; Douglas, R. W.; Ellis, B., Eds.; Wiley-Interscience: New York, 1972.
4. Kim, Y. W.; Park, J. T.; Koh, J. H.; Min, B. R.; Kim, J. H. Polym. Adv. Technol. 2008, 19, 944-946
5. Dobkowski, Z. Eur. Polym. J. 1982, 18, 563-567
6. Marchionni, G.; Ajroldi, G.; Pezzin, G. Eur. Polym. J. 1988, 24, 1211-1216
7. Santangelo, P. G.; Roland, C. M. Macromolecules 1998, 31, 4581-4585
8. Robertson, C. G.; Roland, C. M. J. Polym. Sci., Part B: Polym. Phys. 2004, 42, 2604-2611
9. Ding, Y.; Kisliuk, A.; Sokolov, A. P. Macromolecules 2004, 37, 161-166
10. Ding, Y.; Novikov, V. N.; Sokolov, A. P.; Cailliaux, A.; Dalle-Ferrier, C.; Alba-Simionesco, C.; Frick, B. Macromolecules 2004, 37, 9264-9272
11. Hintermeyer, J.; Herrmann, A.; Kahlau, R.; Goiceanu, C.; Rössler, E. A. Macromolecules 2008, 41, 9335-9344
12. Cowie, J. M. G. Eur. Polym. J. 1975, 11, 297-300
13. Agapov, A. L.; Sokolov, A. P. Macromolecules 2009, 42, 2877-2878
14. Binder, K.; Baschnagel, J.; Paul, W. Prog. Polym. Sci. 2003, 28, 115-172
15. Baschnagel, J.; Varnik, F. J. Phys.: Condens. Matter 2005, 17, R851-R953
16. Paul, W.; Smith, G. D. Rep. Prog. Phys. 2004, 67, 1117-1185
17. Smith, G. D.; Bedrov, D. J. Polym. Sci., Part B: Polym. Phys. 2007, 45, 627-643
18. Baschnagel, J.; Binder, K.; Doruker, P.; Gusev, A. A.; Hahn, O.; Kremer, K.; Mattice, W. L.; Müller-Plathe, F.; Murat, M.; Paul, W.; Santos, S.; Suter, U. W.; Tries, V. Adv. Polym. Sci. 2000, 152, 41-156
19. Glotzer, S. C.; Paul, W. Annu. Rev. Mater. Res. 2002, 32, 401-436
20. Kremer, K.; Grest, G. S. J. Chem. Phys. 1990, 92, 5057-5086
21. Smith, S. W.; Hall, C. K.; Freeman, B. D. Phys. Rev. Lett. 1995, 75, 1316-1319
22. Mondello, M.; Grest, G. S., III; E. B., W.; Peczak, P. J. Chem. Phys. 1998, 109, 798-805
23. Harmandaris, V. A.; Mavrantzas, V. G.; Theodorou, D. N. Macromolecules 1998, 31, 7934-7943
24. Padding, J. T.; Briels, W. J. J. Chem. Phys. 2002, 117, 925-943
25. Harmandaris, V. A.; Doxastakis, M.; Mavrantzas, V. G.; Theodorou, D. N. J. Chem. Phys. 2002, 116, 436-446
26. Lee, S. H.; Chang, T. Bull. Korean Chem. Soc. 2003, 24, 1590-1598
27. Harmandaris, V. A.; Mavrantzas, V. G.; Theodorou, D. N.; Kröger, M.; Ramirez, J.; Öttinger, H. C.; Vlassopouos, D. Macromolecules 2003, 36, 1376-1387
28. Barbieri, A.; Prevosto, D.; Lucchesi, M.; Leporini, D. J. Phys.: Condens. Matter 2004, 16, 6609-6618
29. Karayiannis, N. C.; Mavrantzas, V. G.; Theodorou, D. N. Macromolecules 2004, 37, 2978-2995
30. Bulacu, M.; van der Giessen, E. J. Chem. Phys. 2005, 123, 114901/1-13
31. Depa, P. K.; Maranas, J. K. J. Chem. Phys. 2007, 126, 054903/1-8
32. Zhang, J.; Liang, Y.; Yan, J.; Lou, J. Polymer 2007, 48, 4900-4905
33. Logotheti, G. E.; Theodorou, D. N. Macromolecules 2007, 40, 2235-2245
34. Vallee, R. A. L.; Paul, W.; Binder, K. J. Chem. Phys. 2010, 132, 034901/1-9
35. Solid Polymer Electrolytes; Gray, F. M., Ed.; Wiley: New York, 1991.
36. Vogel, M.; Torbrügge, T. J. Chem. Phys. 2006, 125, 054905/1-10
37. Vogel, M.; Torbrügge, T. J. Chem. Phys. 2006, 125, 164910/1-13
38. Vogel, M.; Torbrügge, T. J. Chem. Phys. 2007, 126, 204902/1-15
39. Vogel, M. Macromolecules 2008, 41, 2949-2958
40. Doolittle, A. K. J. Appl. Phys. 1951, 22, 1471-1475
41. Doolittle, A. K. J. Appl. Phys. 1951, 23, 236-239
42. Cohen, M. H.; Turnbull, D. J. Chem. Phys. 1959, 31, 1164-1169
43. Smith, G. D.; Borodin, O.; Bedrov, D. J. Phys. Chem. A 1998, 102, 10318-10323
44. Wahnstrom, G.; Ahlstrom, P.; Borodin, O.; Wensink, E. J. W.; Carlsson, P.; Smith, G. D. J. Chem. Phys. 2000, 112, 10669-10679
45. Berendsen, H. J. C.; van der Spoel, D.; van Drunen, R. Comput. Phys. Commun. 1995, 91, 43-56
46. Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. J. Comput. Chem. 1997, 18, 1463-1472
47. Lindahl, E.; Hess, B.; van der Spoel, D. J. Mol. Model. 2001, 7, 306-317
48. van der Spoel, D.; Lindahl, E.; Hess, B.; Groenhof, G.; Mark, A. E.; Berendsen, H. J. C. J. Comput. Chem. 2005, 26, 1701-1718
49. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. J. Chem. Theory Comput 2008, 4, 435-447
50. Essman, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577-8593
51. Parrinello, M.; Rahman, A. J. Appl. Phys. 1981, 52, 7182-7190
52. Nosé, S. Mol. Phys. 1984, 52, 255-268
53. Nosé, S. J. Chem. Phys. 1984, 81, 511-519
54. Hoover, W. G. Phys. Rev. A 1985, 31, 1695-1697
55. Götze, W.; Sjogren, L. Rep. Prog. Phys. 1992, 55, 241-376
56. Angell, C. A. J. Non-Cryst. Solids 1991, 131-133, 13-31
57. Smith, G. D.; Yoon, D. Y.; Zhu, W.; Ediger, M. D. Macromolecules 1994, 27, 5563-5569
58. Statistical Physics of Macromolecules; Grosberg, A. Y.; Khokhlov, A. R., Eds.; American Institute of Physics: New York, 1994.
59. P.Wittmer, J.; Meyer, H.; Baschnagel, J.; Johner, A.; Obukhov, S.; Mattioni, L.; Müller, M.; Semenov, A. N. Phys. Rev. Lett. 2004, 93, 147801/1-4
60. Statistical Mechanics of Chain Molecules; Flory, P. J., Ed.; Interscience: New York, 1969.
61. The Physics of Polymers; Strobl, G., Ed.; Springer: Heidelberg, 2007.
62. Xiao, D.; Rajian, J. R.; Cady, A.; Li, S.; Bartsch, R. A.; Quitevis, E. L. J. Phys. Chem. B 2007, 111, 4669-4677
63. Turnbull, D.; Cohen, M. H. J. Chem. Phys. 1961, 34, 120-125
64. Vrentas, J. S. J. Appl. Polym. Sci. 1978, 22, 2325-2339
65. Roland, C. M.; Ngai, K. L. Macromolecules 1992, 25, 5765-5768
66. Mattsson, J.; Bergman, R.; Jacobsson, P.; Börjesson, L. Phys. Rev. Lett. 2005, 94, 165701/1-4
67. Roland, C. M.; Ngai, K. L. Macromolecules 1996, 29, 5747-5750
68. Pawlus, S.; Kunal, K.; Hong, L.; Sokolov, A. P. Polymer 2008, 49, 2918-2923
69. Leon, C.; Ngai, K. L.; Roland, C. M. J. Chem. Phys. 1999, 110, 11585-11591
70. Casalini, R.; Roland, C. M.; Capaccioli, S. J. Chem. Phys. 2007, 126, 184903/1-11
71. Schröter, K.; Reissig, S.; Hempel, E.; Beiner, M. J. Non-Cryst. Solids 2007, 353, 3796-3983
72. Elfadl, A. A.; Herrmann, A.; Hintermeyer, J.; Petzold, N.; Novikov, V. N.; Rössler, E. A. Macromolecules 2009, 42, 6816-6817
73. Dudowicz, J.; Freed, K. F.; Douglas, J. F. J. Phys. Chem. B 2005, 109, 21350-21356
74. Gainaru, C.; Hiller, W.; Böhmer, R. Macromolecules 2010, 43, 1907-1914
75. Böhmer, R.; Ngai, K. L.; Angell, C. A.; Plazek, D. J. J. Chem. Phys. 1993, 99, 4201-4209
76. Saltzman, E. J.; Schweizer, K. S. J. Phys.: Condens. Matter 2007, 19, 205123/1-13
77. Gainaru, C.; Böhmer, R. Macromolecules 2009, 42, 7616-7618