Structure-based coarse-grained model for polymer melts

Journal of Chemical Physics

Volumn 114, Issue 2, 2001, Pages 1020-1031

  Akkermans, Reinier L C ^a   Briels, W J ^a  

^a UNIVERSITY OF TWENTE   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MATHEMATICAL MODELS; MICROSCOPIC EXAMINATION; MOLECULAR DYNAMICS; MOLTEN MATERIALS; RANDOM PROCESSES; THERMODYNAMIC PROPERTIES;

COARSE-GRAINED MODEL; MESOSCOPIC INTERACTION;

POLYMERS;

EID: 0035130082     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1330744     Document Type: Article

References (39)

1. B. Forrest and U. W. Suter, J. Chem. Phys. 102, 7256 (1995).
2. R. L. Henderson, Phys. Lett. 49A, 197 (1974).
3. J. Zwicker and R. Lovett, J. Chem. Phys. 93, 6752 (1990).
4. R. Evans, Mol. Simul. 4, 409 (1990).
5. G. Casanova, R. J. Dulla, D. A. Jonah, J. S. Rowlinson, and G. Saville, Mol. Phys. 18, 589 (1970).
6. J. Baschnagel, K. Binder, W. Paul, M. Laso, U. W. Suter, I. Batoulis, W. Jilge, and T. Bürger, J. Chem. Phys. 95, 6014 (1991).
7. W. Paul, K. Binder, K. Kremer, and D. W. Heermann, Macromolecules 24, 6332 (1991).
8. W. Paul and N. Pistoor, Macromolecules 27, 1249 (1994).
9. K. M. Zimmer, A. Linke, D. W. Heermann, J. Batoulis, and T. Bürger, Macromol. Theory Simul. 5, 1061 (1996).
10. W. Tschöp, K. Kremer, J. Batoulis, T. Bürger, and D. Hahn, Acta Polym. 49, 61 (1998).
11. W. Schommers, Phys. Rev. A 28, 3599 (1983).
12. A. K. Soper, Chem. Phys. 202, 295 (1996).
13. A. P. Lyubartsev and A. Laaksonen, Phys. Rev. E 52, 3730 (1995).
14. A. P. Lyubartsev and A. Laaksonen, Phys. Rev. E 55, 5689 (1997).
15. A. P. Lyubartsev and A. Laaksonen, J. Chem. Phys. 111, 11207 (1999).
16. D. Levesque, J. J. Weis, and L. Reatto, Phys. Rev. Lett. 54, 451 (1985).
17. L. Reatto, D. Levesque, and J. J. Weis, Phys. Rev. A 33, 3451 (1986).
18. R. Rajagopalan and K. S. Rao, Phys. Rev. E 55, 4423 (1997).
19. R. Penfold, S. Abbas, and S. Nordholm, Fluid Phase Equilibria 120, 39 (1996).
20. C. D. Berweger, W. F. van Gunsteren, and F. Müller-Plathe, Chem. Phys. Lett. 232, 429 (1995).
21. S. L. Njo, W. F. van Gunsteren, and F. Müller-Plathe, J. Chem. Phys. 102, 6199 (1995).
22. R. Faller, H. Schmitz, O. Biermann, and F. Müller-Plathe, J. Comput. Chem. 20, 1009 (1999).
23. H. Meyer, O. Biermann, R. Faller, D. Reith, and F. Müller-Plathe, J. Chem. Phys. 113, 6264 (2000).
24. J. D. Bryngelson, J. Chem. Phys. 100, 6038 (1994).
25. V. S. Panda, A. Yu. Grosberg, and T. Tanaka, J. Chem. Phys. 103, 9482 (1995).
26. M.-H. Hao and H. A. Scheraga, J. Phys. Chem. 100, 14540 (1996).
27. L. A. Mirny and E. I. Shakhnovich, J. Mol. Biol. 254, 1164 (1996).
28. P. D. Thomas and K. A. Dill, J. Mol. Biol. 257, 457 (1996).
29. A. Ben-Naim, J. Chem. Phys. 107, 3698 (1997).
30. R. L. C. Akkermans and W. J. Briels, J. Chem. Phys. 113, 6409 (2000).
31. A. Baranyai and G. Tóth, J. Chem. Phys. 107, 8575 (1997).
32. R. L. McGreevy and L. Pusztai, Mol. Simul. 1, 359 (1988).
33. G. J. Martyna, M. L. Klein, and M. Tuckerman, J. Chem. Phys. 97, 2635 (1992).
34. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes (Cambridge University Press, Cambridge, 1986).
35. R. L. C. Akkermans, S. Toxvaerd, and W. J. Briels, J. Chem. Phys. 109, 2929 (1998)
36. D. N. Theodorou, T. D. Boone, L. R. Dodd, and K. F. Mansfield, Makromol. Chem., Theory Simul. 2, 191 (1993).
37. R. D. Groot and P. B. Warren, J. Chem. Phys. 107, 4423 (1997).
38. J. P. Carreau, D. C. R. de Kee, and R. P. Chhabra, Rheology of Polymeric Systems: Principles and Applications (Hanser, Münich, 1997).
39. M. Doi and S. F. Edwards, The Theory of Polymer Dynamics (Clarendon, Oxford, 1986).