Local dynamics of syndiotactic poly(methyl methacrylate) using molecular dynamics simulation

Macromolecules

Volumn 39, Issue 26, 2006, Pages 9630-9640

  Chen, Chunxia ^a   Maranas, Janna K ^a   García Sakai, Victoria ^b  

^a The Pennsylvania State University   (United States)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIELECTRIC SPECTROSCOPY (DS); METHYL GROUP ROTATIONS; QUASIELASTIC NEUTRON SCATTERING;

COMPUTER SIMULATION; GLASS TRANSITION; MOLECULAR DYNAMICS; NEUTRON SCATTERING; PROTONS; RELAXATION PROCESSES;

POLYMETHYL METHACRYLATES;

EID: 33846193151     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma0610562     Document Type: Article

References (45)

1. Bieze, T. W. N.: Vandermaarel, J. R. C.; Eisenbach, C. D.; Leyte, J. C. Macromolecules 1994, 27, 1355.
2. Gómez, D.; Alegría, A.; Arbe, A.; Colmenero, J. Macromolecules 2001, 34, 503.
3. Merenga, A. S.; Papadakis, C. M.; Kremer, F.; Liu, J.; Yee, A. F. Colloid Polym. Sci. 2001, 279, 1064.
4. Arbe, A.; Colmenero, J.; Monkenbusch, M.; Richter, D. Phys. Rev. E. 1996, 54, 3853.
5. Zhu, W.; Gisser, D. J.; Ediger, M. D. J. Polym. Sci., Polym. Phys. 1994, 32, 2251.
6. Arbe, A.; Monkenbusch, M.; Stellbrink, J.; Richter, D.; Farago, B.; Almdal, K.; Faust, R. Macromolecules 2001, 34, 1281.
7. Karatasos, K.; Saija, F.; Ryckaert, J.-P. Physica. B 2001, 301, 119.
8. Ritchter, D.; Arbe, A.; Colmenero, J.; Monkenbusch, M.; Farago, B.; Faust, R. Macromolecules 1998, 31, 1133.
9. Karatasos, K.; Ryckaert, J.-P.: Ricciardi, R.; Lauprêtre, F. Macromolecules 2002, 35, 1451.
10. Schmidt-Rohr, K.; Kulik, A. S.; Beckham, H. W.; Ohlemacher, A.; Pawelzik. U.; Boeffel, C.; Spiess, H. W. Macromolecules 1994, 27, 4733.
11. García Sakai, V.; Chen, C. X.; Maranas, J. K.; Chowdhuri, Z. Macromolecules 2004, 37, 9975.
12. Prager, M.; Heidemann, A. Chem. Rev. 1997, 97, 2933.
13. Moreno, A. J.; Alegría, A.; Colmenero, J.; Prager, M.; Grimm, H.; Frick, B. J. Chem. Phys. 2001, 115, 8958.
14. Moreno, A. J.; Alegría, A.; Colmenero, J.: Frick, B. Macromolecules 2001, 34, 4886.
15. Arrighi, V.; Higgins, J. S.; Burgess, A.; Howells, W. S. Macromolecules 1995, 28, 2745.
16. Arrighi, V.; Higgins, J. S. Physica. B 1996, 226, 1.
17. Allen, G.; Higgins, J. S. Rep. Prog. Phys. 1973, 36, 1073.
18. Heijboer, J.; Baas, J. M. A.; van de Graaf, B.; Hoefnagel, M. A. Polymer 1987, 28, 509.
19. Soldera, A. Macromol. Symp. 1998, 133, 21.
20. Apel, U. M.; Hentschke, R.; Helfrich, J. Macromolecules 1995, 28, 1778.
21. Soldera, A.; Metatla, N. Composites, Part A: Appl. Sci. 2005, 36, 521.
22. Berendsen, H. J. C.; Postma, J. P. M.; Van Gunsteren, W. F.; Di Nola, A.; Heak, J. R. J. Chem. Phys. 1984, 81, 3684.
23. Wunderlich, W. In Polymer Handbook, 3rd ed.; Brandrup, J., Immergut, E. H., Eds., John Wiley & Sons: New York, 1989; See. 5, p 77.
24. Price, M. L. P.; Ostrovsky, D.; Jorgensen, W. L. J. Comput. Chem. 2001, 22, 1340.
25. Kahn, K.; Bruice, T. C. J. Comput. Chem. 2002, 23, 977.
26. Ewald, P. Ann. Phys. 1921, 64, 253.
27. Abdulnour, Y.; Toukmaji, J. A.; Board, J. A., Jr. Comput. Phys. Commun. 1996, 95, 73.
28. Humphreys, D. D.; Friesner, R. A.; Berne, B. J. J. Phys. Chem. 1994, 98, 6885.
29. Tuckerman, M.; Berne, B. J.; Martyna, G. J. J. Chem. Phys. 1992, 97, 1990.
30. Farago, B.; Chen, C. X.; Maranas, J. K.; Kamath, S.; Colby, R. H.; Pasquale, A. J.; Long, T. E. Phys. Rev. E 2005, 72, 031809.
31. Meyer, A.; Dimeo, R. D.; Gehring, P. M.; Neumann, D. A. Rev. Sci. Instrum. 2003, 74, 2762.
32. Copley, R. D.; Cook, J. C. Chem. Phys. 2003, 292, 477.
33. The IDL-based program can be found at http://www.ncnr.nist.gov/dave.
34. García Sakai, V.; Maranas, J. K.; Chowdhuri, Z.; Peral, I.; Copley, J. R. D. J. Polym. Sci., Part B: Polym. Phys. 2005, 43, 2914.
35. Borodin, O.; Douglas, R. J.; Smith, G. D.; Trouw, F.; Petrucci, S. J. Phys. Chem. B. 2003, 107, 6813.
36. Genix, A. -C.; Arbe, A.; Alvarez, F.; Comenero, J.; Willner, L.; Richter, D. Phys. Rev. E. 2005, 72, 031808.
37. Pérez Aparicio, R.; Arbe, A.; Colmenero, J.; Frick, B.; Willer, L.; Ritchter, D.; Fetters, L. J. Macrolecules 2006, 39, 1060.
38. Saelee, C.; Nicholson, T. M.; Davies, G. R. Macromolecules 2000, 33, 2258.
39. Bée, M. Quasielastic Neutron Scattering; Adam Hilger: Bristol, U.K., 1988.
40. Zorn, R.; Frick, B.; Fetters, L. J. J. Chem. Phys. 2002, 116, 845.
41. Higgins, J. S.; Benoît, H. C. Polymers and Neutron Scattering; Clarendon Press: Oxford, U.K., 1994.
42. Allen, G.; Wright, C. J.; Higgins, J. S. Polymer 1974, 15, 319.
43. Cereghetti, P. M.; Kind, R.; Higgins, J. S. J. Chem. Phys. 2004, 121, 8068.
44. Bergman, R.; Alvarez, F.; Alegría, A.; Colmenero, J. J. Chem. Phys. 1998, 109, 7546.
45. Richter, D. Macromol. Symp. 1997, 121, 147.