Three dimensional picture of the local structure of 1,4-polybutadiene from a complete atomistic model and neutron scattering data

Macromolecules

Volumn 44, Issue 8, 2011, Pages 3140-3148

  Gkourmpis, Thomas ^a,b   Mitchell, Geoffrey R ^a  

^a UNIVERSITY OF READING   (United Kingdom)

^b BOREALIS AB   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MODELS; CHAIN CONFORMATIONS; DOUBLE BONDS; EFFICIENT METHOD; EXPERIMENTAL DATA; INTERNAL COORDINATES; LIQUID PHASE; LOCAL STRUCTURE; NEUTRON DIFFRACTION DATA; QUALITATIVE MAPPING; STRUCTURAL REFINEMENT; STRUCTURE FACTORS; THEORETICAL PREDICTION; TORSION ANGLE; TRANS STATE; VALENCE ANGLES; VARIABLE PARAMETERS;

NEUTRON DIFFRACTION; NEUTRON SCATTERING; NEUTRONS; POLYBUTADIENES; THREE DIMENSIONAL; TORSIONAL STRESS;

PROBABILITY DISTRIBUTIONS;

EID: 79955046994     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma102840p     Document Type: Article

References (51)

1. Volkenstein, M. V. Configurational Statistics of Polymer Chains; Wiley-Interscience: New York, 1963.
2. Flory, P. J., Statistical Mechanics of Chain Molecules; Wiley-Interscience: New York, 1969.
3. Lovell, R.; Mitchell, G. R.; Windle, A. H. Faraday Discuss. Chem. Soc. 1979, 68, 46
4. Frick, B.; Richter, D. Science 1995, 267, 1939
5. Richter, D. Physica B 2000, 276-278, 22
6. Mitchell, G. R. In Order in the Amorphous State of Polymers; Keinath, S. E.; Miller, R. L.; Rieke, J. K., Eds.; Plenum: New York, 1987.
7. Mitchell, G. R. In Comprehensive Polymer Science; Allen, G.; Bevington, J. C.; Booth, C.; Price, C., Eds.; Pergamon: Oxford, U.K., 1989.
8. Deegan, R. D.; Nagel, S. R. Phys. Rev. B 1995, 52, 5653
9. Arbe, A.; Richter, D.; Colmenero, J.; Farago, B. Phys. Rev. E. 1996, 54, 3853
10. Guillermo, A.; Dupeyre, R.; Cohen-Addad, J. P. Macromolecules 1990, 23, 1291
11. Dejan de la Batie, R.; Laupretre, F.; Monnerie, L. Macromolecules 1989, 22, 122
12. Richter, D.; Frick, B.; Farago, B. Phys. Rev. Lett. 1998, 61, 2465
13. Frick, B.; Richter, B.; Ritter, C. Europhys. Lett. 1989, 9, 557
14. Kanaya, T.; Kaji, K.; Inoue, K. Macromolecules 1991, 24, 1826
15. Zorn, R.; Richter, B.; Frick, B.; Farago, B. Physica A 1993, 201, 52
16. Arbe, A.; Buchenau, U.; Willner, L.; Richter, D.; Farago, B.; Colmenero, J. Phys Rev lett 1996, 76, 1872
17. Zorn, R.; Kanaya, T.; Kawaguchi, T.; Richter, D.; Kaji, K. J. Chem. Phys. 1996, 105, 1189
18. Abe, Y.; Flory, P. J. Macromolecules 1971, 4, 219
19. Mark, J. E. J. Am. Chem. Soc. 1966, 88, 4354
20. Mark, J. E. J. Am. Chem. Soc. 1967, 89, 6829
21. Smith, G. D.; Paul, W. J. Phys. Chem. A 1998, 102, 1200
22. Mitchell, G. R. MESA, A Molecular Ed. for Structural Analysis; Reading, U.K., 1996.
23. Flory, P. J. J. Chem. Phys. 1949, 17, 303
24. Warren, B. E. X-Ray Diffraction: Addison-Wesley: Reading, MA, 1969.
25. Mitchell, G. R.; Rosi-Schwartz, B. Physica B 1992, 180-181, 558
26. Rosi-Schwartz, B.; Mitchell, G. R. Nucl. Instrum. Methods Phys. 1995, A 354, 17
27. Rosi-Schwartz, B.; Mitchell, G. R. Polymer 1994, 35, 3139
28. Turner, J. Z.; Soper, A. K.; Howells, W. S.; Hannon, A. C.; Ansell, S. SANDALS Survival Guide; ISIS Facility, Rutherford-Appleton Laboratory: U.K., 1999.
29. Soper, A. K.; Howells, W. S.; Hannon, A. C. ATLAS Analysis of Time of Flight Diffraction Data for Liquid and Amorphous Samples; ISIS Facility, Rutherford-Appleton Laboratory: U.K., 2001.
30. Brandrup, J.; Immergut, E. H. Polymer Handbook; Interscience: New York, 1989.
31. Robertson, C. G.; Roland, C. M. Macromolecules 2000, 33, 1262
32. Grebowicz, J.; Aycock, W.; Wunderlich, B. Polymer 1986, 27, 575
33. Buchenau, U.; Wischnewski, A.; Richter, D.; Frick, B. Phys. Rev. Lett. 1996, 77, 4035
34. Frick, B.; Farago, B.; Richter, D. Phys. Rev. Lett. 1990, 64, 2921
35. Richter, D. J. Phys. Condens. Mat. 1996, 8, 9177
36. Paul, D. R.; DiBenedetto, A. T. J. Polym. Sci. C 1965, 10, 17
37. Valentine, R. H.; Ferry, F. D.; Homma, T.; Nonmiya, K. J. Polym. Sci. 1968, A2, 479
38. Okada, O.; Furuya, H. Polymer 2002, 43, 971
39. Getoso, P.; Nicol, E.; Doxastakis, M.; Theodorou, D. N. Macromolecules 2003, 36, 6925
40. Kim, E.; Misra, S.; Mattice, W. L. Macromolecules 1993, 26, 3424
41. Mattice, W. L.; Suter, U. W. Conformational Theory of Large Molecules: The Rotational Isomeric State Model in Macromolecular Systems: Wiley: New York, 1994.
42. Lide, D. R.; Mann, D. E. J. Chem. Phys. 1957, 27, 868
43. Lide, D. R. Annu. Rev. Phys. Chem. 1964, 15, 225
44. Natta, G.; Corradini, P. Angew. Chem. 1956, 68, 615
45. Natta, G.; Corradini, P. Nuovo Cimento, Suppl. 1960, 15, 111
46. Li, Y.; Mattice, W. L. Macromolecules 1992, 25, 4942
47. Tsolou, G.; Harmandaris, V. A.; Mavrantzas, V. G. Macromol. Theory Simul. 2006, 15, 381
48. Gee, R. H.; Boyd, R. H. J. Chem. Phys. 1994, 101, 8028
49. Smith, G. D.; Paul, W.; Mokenbusch, M.; Willner, L.; Richter, D.; Qiu, X. H.; Ediger, M. D. Macromolecules 1999, 32, 8857
50. Allegera, G. Makromol. Chem. 1967, 110, 58
51. Fetters, L. J.; Lohse, D. J.; Richter, D.; Witten, T. A.; Zirkel, A. Macromolecules 1994, 27, 4639