Structural properties of hyperbranched polymers in the melt under shear via nonequilibrium molecular dynamics simulation

Journal of Chemical Physics

Volumn 130, Issue 7, 2009, Pages

  Le, Tu C ^a   Todd, B D ^a   Daivis, P J ^b   Uhlherr, A ^c  

^a SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

^b RMIT UNIVERSITY   (Australia)

^c CSIRO   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

DENDRIMERS; DRUG DELIVERY; DYNAMICS; MOLECULAR DYNAMICS; POLYMER BLENDS; STRAIN RATE;

BRANCHED ARCHITECTURES; COARSE-GRAINED MODELS; HYPER-BRANCHED POLYMERS; NON-EQUILIBRIUM MOLECULAR DYNAMICS; NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATIONS; SPATIAL ARRANGEMENTS; TERMINAL BEADS;

POLYMER MELTS;

EID: 60749103896     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3077006     Document Type: Article

References (33)

1. E. Buhleier, W. Wehner, and F. Vögtle, Synthesis 2, 155 (1978). 0039-7881
2. Y. H. Kim and O. W. Webster, Macromolecules 0024-9297 10.1021/ma00047a001 25, 5561 (1992); Y. H. Kim and O. W. Webster, Polymer Preparation 23, 310 (1988).
3. Y. H. Kim and O. W. Webster, J. Am. Chem. Soc. 0002-7863 10.1021/ja00167a094 112, 4592 (1990).
4. C. R. Yates and W. Hayes, Eur. Polym. J. 0014-3057 10.1016/j.eurpolymj. 2004.02.007 40, 1257 (2004); M. Jikei and M. Kakimoto, Prog. Polym. Sci. 0079-6700 10.1016/S0079-6700(01)00018-1 26, 1233 (2001).
5. C. Gao and D. Yan, Prog. Polym. Sci. 0079-6700 10.1016/j.progpolymsci. 2003.12.002 29, 183 (2004).
6. E. Malmstrom and A. Hult, J. Macromol. Sci., Rev. Macromol. Chem. Phys. 0736-6574 C37, 555 (1997); J. T. Bosko, B. D. Todd, and R. J. Sadus, J. Chem. Phys. 121, 12050 (2004).
7. T. J. Prosa, B. J. Bauer, E. J. Amis, D. A. Tomalia, and R. Scherrenberg, J. Polym. Sci., Part B: Polym. Phys. 35, 2913 (1997).
8. J. Aerts, Comput. Theor. Polym. Sci. 1089-3156 10.1016/S1089-3156(98) 00013-0 8, 49 (1998).
9. R. L. Lescanec and M. Muthukumar, Macromolecules 0024-9297 10.1021/ma00210a026 23, 2280 (1990).
10. A. V. Lyulin, D. B. Adolf, and G. R. Davies, Macromolecules 0024-9297 10.1021/ma0018796 34, 3783 (2001).
11. D. Boris and M. Rubinstein, Macromolecules 0024-9297 10.1021/ma960397k 29, 7251 (1996).
12. A. H. Widmann and G. R. Davies, Comput. Theor. Polym. Sci. 1089-3156 10.1016/S1089-3156(98)00033-6 8, 191 (1998).
13. P. F. Sheridan, D. B. Adolf, A. V. Lyulin, I. Neelov, and G. R. Davies, J. Chem. Phys. 0021-9606 10.1063/1.1507774 117, 7802 (2002).
14. I. M. Neelov and D. B. Adolf, J. Phys. Chem. B 1089-5647 10.1021/jp030994q 108, 7627 (2004).
15. D. Konkolewicz, G. R. Gilbert, and A. Gray-Weale, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.98.238301 98, 238301 (2007).
16. C. J. C. Watts, A. Gray-Weale, and R. G. Gilbert, Biomacromolecules 1525-7797 10.1021/bm0605199 8, 455 (2007).
17. G. K. Dalakoglou, K. Karatasos, S. V. Lyulin, and A. V. Lyulin, J. Chem. Phys. 0021-9606 10.1063/1.2952518 129, 034901 (2008).
18. D. Konkolewicz, O. Thorn-Seshold, and A. Gray-Weale, J. Chem. Phys. 129, 054901 (2008). 0021-9606
19. C. N. Likos, Soft Matter 1744-683X 10.1039/b601916c 2, 478 (2006).
20. J. T. Bosko, B. D. Todd, and R. J. Sadus, J. Chem. Phys. 0021-9606 10.1063/1.1755659 121, 1091 (2004).
21. J. D. Weeks, D. Chandler, and H. C. Anderson, J. Chem. Phys. 0021-9606 10.1063/1.1674820 54, 5237 (1971).
22. G. S. Grest and K. Kremer, Phys. Rev. A 1050-2947 10.1103/PhysRevA.33. 3628 33, 3628 (1986).
23. M. Kroger, W. Loose, and S. Hess, J. Rheol. 0148-6055 10.1122/1.550409 37, 1057 (1993).
24. A. W. Lees and S. F. Edwards, J. Phys. C 0022-3719 10.1088/0022-3719/5/ 15/006 5, 1921 (1972).
25. D. J. Evans and G. P. Morriss, Statistical Mechanics of Nonequilibrium Liquids (Academic, London, 1990).
26. B. D. Todd and P. J. Daivis, Mol. Simul. 33, 189 (2007).
27. R. J. Sadus, Molecular Simulation of Fluids: Algorithms and Object-Orientation (Elsevier, Amsterdam, 1999).
28. C. W. Gear, Numerical Initial Value Problems in Ordinary Differential Equations (Prentice-Hall, Englewood Cliffs, 1971).
29. J. T. Bosko, B. D. Todd, and R. J. Sadus, J. Chem. Phys. 124, 044910 (2006). 0021-9606
30. I. Bodnar, A. S. Silva, R. W. Deitcher, N. E. Weisman, Y. H. Kim, and N. J. Wagner, J. Polym. Sci., Part B: Polym. Phys. 38, 857 (2000).
31. E. G. Timoshenko, Y. A. Kuznetsov, and R. Connolly, J. Chem. Phys. 0021-9606 10.1063/1.1514571 117, 9050 (2002).
32. T. T. Hsieh, C. Tiu, and G. P. Simon, Polymer 42, 1931 (2001) 0032-3861; T. T. Hsieh, C. Tiu, and G. P. Simon, Polymer 0032-3861 10.1016/S0032-3861(01) 00276-2 42, 7635 (2001).
33. Y. Ding, H. C. Ottinger, A. D. Schluter, and M. Kroger, J. Chem. Phys. 127, 094904 (2007) 0021-9606; M. Kroger, O. Peleg, Y. Ding, and Y. Rabin, Soft Matter 1744-683X 10.1039/b710147c 4, 18 (2008).