Molecular dynamics simulation of intramolecular cross-Linking of BCB/styrene copolymers

Macromolecules

Volumn 42, Issue 21, 2009, Pages 8534-8542

  Liu, J W ^a   Mackay, M E ^b   Duxbury, P M ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b University of Delaware   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZOCYCLOBUTENE; CHEMICAL DISTANCES; COARSE GRAINED MODELS; CROSS-LINKED POLYMERS; CROSS-LINKERS; CROSSLINKER; FREELY JOINTED CHAINS; MOLECULAR DYNAMICS SIMULATIONS; MONOMERIC UNITS; POLYMERIC NANOPARTICLES; POWER LAW RELATION; RADIUS OF GYRATION; SIMULATION DATA; STERIC HINDRANCES; STYRENE COPOLYMERS; TEMPERATURE SERIES;

BUTENES; COPOLYMERIZATION; COPOLYMERS; CROSSLINKING; MOLECULAR DYNAMICS; PLASTIC PRODUCTS; POLYSTYRENES; REACTION KINETICS; SIMULATORS; STYRENE;

POLYMERS;

EID: 70449360089     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma901486q     Document Type: Article

References (32)

1. Harth, E.; Horn, B. V.; Lee, V. Y.; Germack, D. S.; Gonzales, C. P.; Miller, R. D.; Hawker, C. J. J. Am. Chem. Soc. 2002, 124, 8653-8660.
2. Mecerreyes, D.; Lee, V.; Hawker, C. J.; Hedrick, J. L.; Wursch, A.; Volksen, W.; Magbitang, T.; Huang, E.; Miller, R. D. Adv. Mater. 2001, 13, 204-208.
3. Jiang, J.; Thayumanavan, S. Macromolecules 2005, 38, 5886-5891.
4. Aliyar, H. A.; Hamilton, P. D.; Remsen, E. E.; Ravi, N. J. Bioact. Compat. Polym. 2005, 20, 169-181.
5. Beck, J. B.; Killops, K. L.; Kang, T.; Sivanandan, K.; Bayles, A.; Mackay, M. E.; Wooley, K. L.; Hawker, C. J. Macromolecules 2009, 42, 5629-5635.
6. Katz, E.; Willner, I. Angew. Chem., Int. Ed. 2004, 43, 6042-6108.
7. Balazs, A. C.; Emrick, T.; Russell, T. P. Science 2006, 314, 11071110.
8. Rosier, A.; Vandermeulen, G. W. M.; Klok, H. A. Adv. Drug Delivery Rev. 2001, 53, 95-108.
9. Krishnan, R. S.; Mackay, M. E.; Duxbury, P. M.; Pastor, A.; Hawker, C. J.; Van Horn, B.; Asokan, S.; Wong, M. S. Nano Lett. 2007, 7, 484-489.
10. Mackay, M. E.; Tuteja, A.; Duxbury, P. M.; Hawker, C. J.; Van Horn, B.; Guan, Z. B.; Chen, G. H.; Krishnan, R. S. Science 2006, 311, 1740-1743.
11. Mackay, M. E.; Dao, T. T.; Tuteja, A.; Ho, D. L.; Van Horn, B.; Kim, H. C.; Hawker, C. J. Nat. Mater. 2003, 2, 762-766.
12. Tuteja, A.; Duxbury, P. M.; Mackay, M. E. Macromolecules 2007, 40, 9427-9434.
13. Martin, J. E.; Eichinger, B. E. Macromolecules 1983, 16, 13451350.
14. Antonietti, M.; Sillescu, H.; Schmidt, M.; Schuch, H. Macromolecules 1988, 21, 136.
15. Rader, A. J.; Hespenheide, B. M.; Kuhn, L. A.; Thorpe, M. F. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 3540.
16. Plimpton, S. J. J. Comput. Phys. 1995, 117, 1.
17. Liu, J. W.; Mackay, M. E.; Duxbury, P. M. Europhys. Lett. 2008, 54, 46001.
18. Mondello, M.; Yang, H.-J.; Furuya, H.; Roe, R.-J. Macromolecules 1994, 27, 3566-3574.
19. Lyulin, A. V.; Michels, M. A. J. Macromolecules 2002, 35, 14631472.
20. Lyulin, A. V.; Vorselaars, B.; Mazo, M. A.; Balabaev, N. K.; Michels, M. A. J. Europhys. Lett. 2005, 71, 618-624.
21. Vorselaars, B.; Lyulin, A. V.; Michels, M. A. J. Macromolecules 2001, 40, 6001-6011.
22. Lyulin, A. V.; Michels, M. A. J. Phys. Rev. Lett. 2007, 99, 085504.
23. Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S.; Weiner, P. J. Am. Chem. Soc. 1984, 106, 765-784.
24. Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230-252.
25. Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 5179-5197.
26. Duan, Y.; Wu, C.; Chowdhury, S.; Lee, M. C.; Xiong, G.; Zhang, W.; Yang, R.; Cieplak, P.; Luo, R.; Lee, T.; Caldwell, J.; Wang, J.; Kollman, P. J. Comput. Chem. 2003, 24, 1999-2012.
27. Yang, L.; Tan, C.-H.; Hsieh, M.-J.; Wang, J.; Duan, Y.; Cieplak, P.; Caldwell, J.; Kollman, P. A.; Luo, R. J. Phys. Chem. B 2006, 110, 13166-13176.
28. Han, J.; Boyd, R. H. Polymer 1996, 37, 1797-1804.
29. Rottach, D. R.; Curro, J. G.; Grest, G. S.; Thompson, A. P. Macromolecules 2004, 37, 5468-5473.
30. Rubinstein, M.; Colby, R. H. Polymer Physics; Oxford University Press: New York, 2003.
31. Grest, G. S.; Kremer, K.; Duering, E. R. Europhys. Lett. 1992, 19, 195-200.
32. Jacobs, D. J.; Rader, A. J.; Kuhn, L. A.; Thorpe, M. F. Proteins: Struct., Fund., Genet. 2001, 44, 150-165.