A molecular picture of motion in polyolefins

Journal of Chemical Physics

Volumn 132, Issue 14, 2010, Pages

  Boland, Erin K ^a   Liu, Jiahong ^a   Maranas, Janna K ^b  

^a The Pennsylvania State University   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARRHENIUS DEPENDENCE; EXPERIMENTAL DATA; FORCE FIELDS; LOW TEMPERATURES; MOLECULAR PICTURES; NERD FORCE FIELDS; NONBONDED INTERACTION; QUASI ELASTIC NEUTRON SCATTERING; TORSIONAL BARRIERS; UNITED ATOMS;

ETHYLENE; POLYETHYLENES; PROPYLENE; THERMOPLASTICS;

DYNAMICS;

PL 732; POLYENE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; MOTION; NEUTRON DIFFRACTION; TEMPERATURE;

MODELS, CHEMICAL; MOTION; NEUTRON DIFFRACTION; POLYENES; TEMPERATURE;

EID: 77951119286     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3366660     Document Type: Article

References (82)

1. H. W. Spiess, Annu. Rev. Mater. Sci. 0084-6600 21, 131 (1991). 10.1146/annurev.ms.21.080191.001023
2. R. Kimmich and N. Fatkullin, Adv. Polym. Sci. 0065-3195 170, 1 (2004).
3. P. A. Mirau, A Practical Guide to Understanding the NMR of Polymers (Wiley, Hoboken, 2005).
4. F. Kremer, J. Non-Cryst. Solids 0022-3093 305, 1 (2002). 10.1016/S0022-3093(02)01083-9 (Pubitemid 34552110)
5. J. P. Runt and J. J. Fitzgerald, Dielectric Spectroscopy of Polymeric Materials: Fundamentals and Applications (American Chemical Society, Washington, D.C., 1997).
6. F. Kremer and A. Schönhals, Broadband Dielectric Spectroscopy (Springer, Berlin, 2003).
7. J. Higgins and H. Benòt, Polymers and Neutron Scattering (Clarendon, Oxford, 1996).
8. M. B́e, Quasielastic Neutron Scattering (Adam Higler, Bristol, 1988).
9. D. Richter, Physica B 0921-4526 276, 22 (2000). 10.1016/S0921-4526(99) 01357-5 (Pubitemid 30587528)
10. R. Pecora, Dynamic Light Scattering: Applications of Photon Correlation Spectroscopy (Plenum, New York, 1985).
11. W. Burchard, Adv. Polym. Sci. 0065-3195 48, 1 (1983). 10.1007/3-540-12030-0-1
12. J. Meissner, Annu. Rev. Fluid Mech. 0066-4189 17, 45 (1985). 10.1146/annurev.fl.17.010185.000401
13. J. D. Ferry, Viscoelastic Properties of Polymers (Wiley, New York, 1980).
14. E. Jaramillo, D. T. Wu, G. S. Grest, and J. G. Curro, J. Chem. Phys. 0021-9606 120, 8883 (2004). 10.1063/1.1742761
15. D. Heine, D. T. Wu, J. G. Curro, and G. S. Grest, J. Chem. Phys. 0021-9606 118, 914 (2003). 10.1063/1.1516591
16. J. D. Londono, J. K. Maranas, M. Mondello, A. Habenschuss, G. S. Grest, P. G. Debenedetti, W. W. Graessley, and S. K. Kumar, J. Polym. Sci., Part B: Polym. Phys. 36, 3001 (1998). 10.1002/(SICI)1099-0488(19981130)36:16<3001:: AID-POLB143.0.CO;2-H
17. A. Neelakantan and J. K. Maranas, J. Chem. Phys. 0021-9606 120, 465 (2004). 10.1063/1.1629077
18. A. Neelakantan and J. K. Maranas, J. Chem. Phys. 0021-9606 120, 1617 (2004). 10.1063/1.1633255
19. J. K. Maranas, M. Mondello, G. S. Grest, S. K. Kumar, P. G. Debenedetti, and W. W. Graessley, Macromolecules 0024-9297 31, 6991 (1998). 10.1021/ma9717552
20. J. K. Maranas, S. K. Kumar, P. G. Debenedetti, W. W. Graessley, M. Mondello, and G. S. Grest, Macromolecules 0024-9297 31, 6998 (1998). 10.1021/ma971756u
21. P. V. K. Pant and R. H. Boyd, Macromolecules 0024-9297 25, 494 (1992). 10.1021/ma00027a079
22. P. V. K. Pant and R. H. Boyd, Macromolecules 0024-9297 26, 679 (1993). 10.1021/ma00056a019
23. G. D. Smith and D. Y. Yoon, J. Chem. Phys. 0021-9606 100, 649 (1994). 10.1063/1.466929
24. M. Mondello and G. S. Grest, J. Chem. Phys. 0021-9606 103, 7156 (1995). 10.1063/1.470344
25. T. J. McKnight, T. J. H. Vlugt, D. Ramjugernath, M. Starzak, P. Ahlström, and K. Bolton, Fluid Phase Equilib. 0378-3812 232, 136 (2005). 10.1016/j.fluid.2005.03.021 (Pubitemid 40665399)
26. J. López-Lemus, M. Romero-Bastida, T. A. Darden, and J. Alejandre, Mol. Phys. 0026-8976 104, 2413 (2006). 10.1080/00268970600691274 (Pubitemid 44154995)
27. W. L. Jorgensen, J. D. Madura, and C. Swenson, J. Am. Chem. Soc. 0002-7863 106, 6638 (1984). 10.1021/ja00334a030
28. M. G. Martin and J. I. Siepmann, J. Phys. Chem. B 1089-5647 102, 2569 (1998). 10.1021/jp972543+
29. M. G. Martin and J. I. Siepmann, J. Phys. Chem. B 1089-5647 103, 4508 (1999). 10.1021/jp984742e
30. S. K. Nath, F. A. Escobedo, and J. J. de Pablo, J. Chem. Phys. 0021-9606 108, 9905 (1998). 10.1063/1.476429
31. S. K. Nath and J. J. de Pablo, Mol. Phys. 0026-8976 98, 231 (2000). 10.1080/00268970009483286
32. S. K. Nath and R. Khare, J. Chem. Phys. 0021-9606 115, 10837 (2001). 10.1063/1.1418731 (Pubitemid 34061283)
33. J. I. Siepmann, S. Karaborni, and B. Smit, Nature 0028-0836 365, 330 (1993). 10.1038/365330a0
34. V. A. Harmandaris, V. G. Mavrantzas, D. N. Theodorou, M. Kröger, J. Ramírez, H. C. Öttinger, and D. Vlassopoulos, Macromolecules 0024-9297 36, 1376 (2003). 10.1021/ma020009g
35. H. C. Andersen, J. Comput. Phys. 0021-9991 52, 24 (1983). 10.1016/0021-9991(83)90014-1
36. D. Bedrov and G. D. Smith, Macromolecules 0024-9297 38, 10314 (2005). 10.1021/ma0517392 (Pubitemid 41786951)
37. D. Bedrov and G. D. Smith, Macromolecules 0024-9297 39, 8526 (2006). 10.1021/ma0608828 (Pubitemid 46084779)
38. P. K. Depa and J. K. Maranas, J. Chem. Phys. 0021-9606 126, 054903 (2007). 10.1063/1.2433724 (Pubitemid 46246015)
39. W. Swope, H. Andersen, P. H. Berens, and K. R. Wilson, J. Chem. Phys. 0021-9606 76, 637 (1982). 10.1063/1.442716
40. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. 0021-9606 81, 3684 (1984). 10.1063/1.448118
41. D. S. Pearson, G. V. Strate, E. Vonmeerwall, and F. C. Schilling, Macromolecules 0024-9297 20, 1133 (1987). 10.1021/ma00171a044
42. A. K. Doolittle, J. Chem. Eng. Data 0021-9568 9, 275 (1964). 10.1021/je60021a048
43. R. Krishnamoorti, Ph.D. dissertation, Princeton University, 1994.
44. M. Mondello, H. J. Yang, H. Furuya, and R. J. Roe, Macromolecules 0024-9297 27, 3566 (1994). 10.1021/ma00091a018
45. V. Arrighi, R. Ferguson, R. E. Lechner, M. Telling, and A. Triolo, Physica B 0921-4526 301, 35 (2001). 10.1016/S0921-4526(01)00508-7 (Pubitemid 32609597)
46. V. Arrighi, C. Pappas, A. Triolo, and S. Pouget, Physica B 0921-4526 301, 157 (2001). 10.1016/S0921-4526(01)00530-0 (Pubitemid 32615617)
47. O. Ahumada, D. N. Theodorou, A. Triolo, V. Arrighi, C. Karatasos, and J. P. Ryckaert, Macromolecules 0024-9297 35, 7110 (2002). 10.1021/ma011807u (Pubitemid 34991130)
48. D. Schaefer, H. W. Spiess, U. W. Suter, and W. W. Fleming, Macromolecules 0024-9297 23, 3431 (1990). 10.1021/ma00216a008
49. G. D. Patterson, J. Polym. Sci., Part B: Polym. Phys. 15, 455 (1977).
50. N. E. Moe, X. H. Qiu, and M. D. Ediger, Macromolecules 0024-9297 33, 2145 (2000). 10.1021/ma991844+ (Pubitemid 30581645)
51. A. Dekmezian, D. E. Axelson, J. J. Dechter, B. Borah, and L. Mandelkern, J. Polym. Sci., Part B: Polym. Phys. 23, 367 (1985).
52. G. Fytas and K. L. Ngai, Macromolecules 0024-9297 21, 804 (1988). 10.1021/ma00181a042
53. P. G. Santangelo, K. L. Ngai, and C. M. Roland, Macromolecules 0024-9297 29, 3651 (1996). 10.1021/ma951531o
54. C. M. Roland, K. L. Ngai, P. G. Santangelo, X. H. Qiu, M. D. Ediger, and D. J. Plazek, Macromolecules 0024-9297 34, 6159 (2001). 10.1021/ma002121p (Pubitemid 34217121)
55. K. Kessairi, S. Napolitano, S. Capaccioli, P. Rolla, and M. Wübbenhorst, Macromolecules 0024-9297 40, 1786 (2007). 10.1021/ma070141m (Pubitemid 46502585)
56. E. Krygier, G. X. Lin, J. Mendes, G. Mukandela, D. Azar, A. A. Jones, J. A. Pathak, R. H. Colby, S. K. Kumar, G. Floudas, R. Krishnamoorti, and R. Faust, Macromolecules 0024-9297 38, 7721 (2005). 10.1021/ma048224f (Pubitemid 41335699)
57. R. Ṕrez Aparicio, A. Arbe, J. Colmenero, B. Frick, L. Willner, D. Richter, and L. J. Fetters, Macromolecules 0024-9297 39, 1060 (2006). 10.1021/ma052006k (Pubitemid 43239553)
58. J. A. Pathak, Ph.D. dissertation, The Pennsylvania State University, (2000).
59. X. H. Qiu and M. D. Ediger, Macromolecules 0024-9297 33, 490 (2000). 10.1021/ma991086n (Pubitemid 30541904)
60. D. S. Pearson, L. J. Fetters, W. W. Graessley, G. V. Strate, and E. von Meerwall, Macromolecules 0024-9297 27, 711 (1994). 10.1021/ma00081a014
61. Y. P. Khanna, E. A. Turi, T. J. Taylor, V. V. Vickroy, and R. F. Abbott, Macromolecules 0024-9297 18, 1302 (1985). 10.1021/ma00148a045
62. G. B. McKenna, K. L. Ngai, and D. J. Plazek, Polymer 0032-3861 26, 1651 (1985). 10.1016/0032-3861(85)90280-0 (Pubitemid 15609610)
63. D. Richter, L. Willner, and A. Zirkel, Macromolecules 0024-9297 27, 7437 (1994). 10.1021/ma00103a029
64. G. D. Smith, W. Paul, D. Y. Yoon, A. Zirkel, J. Hendricks, D. Richter, and H. Schober, J. Chem. Phys. 0021-9606 107, 4751 (1997). 10.1063/1.474837
65. M. Morton and L. Fetters, Rubber Chem. Technol. 0035-9475 48, 359 (1975).
66. D. Uhrig and J. W. Mays J. Polym. Sci., Part A: Polym. Chem. 0887-624X 43, 6179 (2005). 10.1002/pola.21016 (Pubitemid 41815733)
67. P. C. Painter and M. M. Coleman, Fundamentals of Polymer Science: An Introductory Text (Technomic, Lancaster, 1997).
68. J. Mays, N. Hadjichristidis, and L. J. Fetters, Macromolecules 0024-9297 17, 2723 (1984). 10.1021/ma00142a048
69. J. R. D. Copley and J. C. Cook, Chem. Phys. 0301-0104 292, 477 (2003). 10.1016/S0301-0104(03)00124-1
70. A. Meyer, R. M. Dimeo, P. M. Gehring, and D. A. Neumann, Rev. Sci. Instrum. 0034-6748 74, 2759 (2003). 10.1063/1.1568557
71. The IDL-based program can be found at http://www.ncnr.nist.gov/dave.
72. V. G. Sakai, C. Chen, J. K. Maranas, and Z. Chowdhuri, Macromolecules 0024-9297 37, 9975 (2004). 10.1021/ma0497355 (Pubitemid 40079989)
73. G. Williams and D. C. Watts, Trans. Faraday Soc. 0014-7672 66, 80 (1970). 10.1039/tf9706600080
74. J. D. Londono, A. Habenschuss, J. G. Curro, and J. J. Rajasekaran, J. Polym. Sci., Part B: Polym. Phys. 34, 3055 (1996). 10.1002/(SICI)1099- 0488(199612)34:17<3055::AID-POLB173.0.CO;2-6
75. D. Bedrov and G. D. Smith, Phys. Rev. E 1063-651X 71, 050801 (2005). 10.1103/PhysRevE.71.050801 (Pubitemid 41480915)
76. G. D. Smith and D. Bedrov, J. Non-Cryst. Solids 0022-3093 352, 4690 (2006). 10.1016/j.jnoncrysol.2006.02.142 (Pubitemid 44646996)
77. P. K. Depa and J. K. Maranas, J. Chem. Phys. 0021-9606 123, 094901 (2005). 10.1063/1.1997150 (Pubitemid 41329958)
78. C. Chen, P. Depa, V. García-Sakai, J. W. Lynn, I. Peral, and J. R. D. Copley, J. Chem. Phys. 0021-9606 124, 234901 (2006). 10.1063/1.2204035 (Pubitemid 43938921)
79. C. Chen, P. Depa, J. K. Maranas, and V. García-Sakai, J. Chem. Phys. 0021-9606 128, 124906 (2008). 10.1063/1.2833545 (Pubitemid 351474126)
80. S. O. Nielsen, C. F. Lopez, G. Srinivas, and M. L. Klein, J. Phys.: Condens. Matter 0953-8984 16, R481 (2004). 10.1088/0953-8984/16/15/R03
81. L. Whitehead, C. M. Edge, and J. W. Essex, J. Comput. Chem. 0192-8651 22, 1622 (2001). 10.1002/jcc.1118 (Pubitemid 32961423)
82. C. F. Lopez, S. O. Nielsen, P. B. Moore, J. C. Shelley, and M. L. Klein, J. Phys.: Condens. Matter 0953-8984 14, 9431 (2002). 10.1088/0953-8984/14/40/327 (Pubitemid 35275059)