Structural properties of atactic polystyrene of different thermal history obtained from a multiscale simulation

Macromolecules

Volumn 42, Issue 1, 2009, Pages 384-391

  Mulder, Tim ^a,c   Harmandaris, V A ^b   Lyulin, Alexey V ^a   Van Der Vegt, N F A ^b   Kremer, K ^b   Michels, M A J ^a,c  

^a DUTCH POLYMER INSTITUTE DPI   (Netherlands)

^b MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^c EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

COOLING; FREEZING; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLYMERS; POLYSTYRENES; YIELD STRESS;

ATACTIC POLYSTYRENES; COARSE-GRAINED DESCRIPTIONS; COOLING RATES; COOLING TIME; DIFFERENT THERMAL HISTORY; DIHEDRAL ANGLES; GLASSY SAMPLES; KUHN LENGTHS; LENGTH SCALE; MOLECULAR SIMULATIONS; MONTE CARLO TECHNIQUES; MULTI-SCALE SIMULATIONS; NMR DATUM; PAIR CORRELATIONS; POLYMER CHAIN CONFORMATIONS; POLYMER STRUCTURES; TO EFFECTS; X-RAY DATUM;

POLYMER MELTS;

EID: 61649088178     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma800873z     Document Type: Article

References (36)

1. Struik, L. C. E. Physical Aging in Amorphous Polymers and Other Materials; Elsevier: Amsterdam, 1978.
2. Utz, M.; Debenedetti, P. G.; Stillinger, F. H. Phys. Rev. Lett. 2000, 84, 1471.
3. Hasan, O. A.; Boyce, M. C. Polymer 1993, 34, 5085.
4. van Melick, H. G. H.; Govaert, L. E.; Raas, B.; Nauta, W. J.; Meijer, H. E. H. Polymer 2003, 44, 1171.
5. Govaert, L. E.; van Melick, H. G. H.; Meijer, H. E. H. Polymer 2001, 42, 1271.
6. Isner, B. A.; Lacks, D. J. Phys. Rev. Lett. 2006, 96, 025506.
7. Lyulin, A. V.; Vorselaars, B.; Mazo, M. A.; Balabaev, N. K.; Michels, M. A. J. Europhys. Lett. 2005, 71, 618.
8. Lyulin, A. V.; Michels, M. A. J. Phys. Rev. Lett. 2007, 99, 085504.
9. Yoon, D. Y.; Sundararajan, P. R.; Flory, P. J. Macromolecules 1975, 8, 776.
10. Rapold, R. F.; Suter, U. W. Macromol. Theory Simul. 1994, 5, 1.
11. Rehahn, M.; Mattice, W. L.; Suter, U. W. Adv. Polym. Sci. 1997, 131-132.
12. Harmandaris, V. A.; Adhikari, N. P.; Van der Vegt, N. F. A.; Kremer, K. Macromolecules 2006, 39, 6708.
13. Londono, J. D.; Habenschuss, A.; Curro, J. G.; Rajasekaran, J. J. J. Polym. Sci., Part B 1996, 34, 3055.
14. Harmandaris, V. A.; Reith, D.; VanderVegt, N. F. A.; Kremer, K. Macromol. Chem. Phys. 2007, 208, 2109.
15. Auhl, R.; Everaers, R.; Grest, G. S.; Kremer, K.; Plimpton, S. J. J. Chem. Phys. 2003, 119, 12718.
16. Spyriouni, T.; Tzoumanekas, C.; Theodorou, D. N.; Müller-Plathe, F.; Milano, G. Macromolecules 2007, 40, 3876.
17. Everaers, R.; Sukumaran, S. K.; Grest, G. S.; Svaneborg, C.; Sivasubramanian, A.; Kremer, K. Science 2004, 303, 823.
18. Tzoumanekas, C.; Theodorou, D. N. Macromolecules 2006, 39, 4592.
19. Mulder, T.; Harmandaris, V. A.; Lyulin, A. V.; Van der Vegt, N. F. A.; Vorselaars, B.; Michels, M. A. J. Macromol. Theory Simul. 2008, 17, 290.
20. Mulder, T.; Harmandaris, V. A.; Lyulin, A. V.; Van der Vegt, N. F. A.; Michels, M. A. J. Macromol. Theory Simul. 2008, 17, 393.
21. Mavrantzas, V. G.; Boone, T. D.; Zervopoulou, E.; Theodorou, D. N. Macromolecules 1999, 32, 5072.
22. Robyr, P.; Tomaselli, M.; Grob-Pisano, C.; Meier, B. H.; Ernst, R. R.; Suter, U. W. Macromolecules 1995, 28, 5320.
23. Brüning, R.; Samwer, K. Phys. Rev. B 1992, 46, 11318.
24. Lyulin, A. V.; Balabaev, N. K.; Michels, M. A. J. Macromolecules 2003, 36, 8574.
25. Press, W. H.; Flannery, B. P.; Teukolsky, S. A.; Vetterling, W. T. Numerical Recipes; Cambridge University Press: Cambridge, 1985.
26. Mondello, M.; Yang, H. J.; Furuya, H.; Roe, R. J. Macromolecules 1994, 27, 3566.
27. Vorselaars, B.; Lyulin, A. V.; Michels, M. A. J. Macromolecules 2007, 40, 6001.
28. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon Press: Oxford, 1987.
29. Lemak, A. S.; Balabaev, N. K. J. Comput. Chem. 1996, 17, 1685.
30. Mark, J.; Ngai, K.; Graessley, W.; Mandelkern, L.; Samulski, E.; König, J.; Wignall, G. Physical Properties of Polymers; Cambridge University Press: Cambridge, UK, 2003.
31. Flory, P. J. Statistical Mechanics of Chain Molecules; Hanser Publishers: New York, 1989.
32. Dunbar, M. G.; Novak, B. M.; Schmidt-Rohr, K. Solid State Nucl. Magn. Reson. 1998, 12, 119.
33. Robyr, P.; Gan, Z.; Suter, U. W. Macromolecules 1998, 31, 8918.
34. Robyr, P.; Müller, M.; Suter, U. W. Macromolecules 1999, 32, 8681.
35. Gan, Z.; Ernst, R. R. Chem. Phys. Lett. 1996, 13, 253.
36. Neuhaus, D.; Williamson, M. P. The Nuclear Overhauser Effect in Structural and Conformational Analysis; VCH Publishers: New York, 1989.