Glass transition temperature and chain flexibility of ethylene-norbornene copolymers from molecular dynamics simulations

Macromolecular Theory and Simulations

Volumn 15, Issue 6, 2006, Pages 457-468

  Carbone, Paola ^a,b   Rapallo, Arnaldo ^a   Ragazzi, Massimo ^a   Tritto, Incoronata ^a   Ferro, Dino R ^a  

^a CNR   (Italy)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Ethylene norbornene copolymers; Molecular dynamics; NMR; Stereospecific copolymers; Structure property relations

Indexed keywords

CATALYSTS; COMPUTER SIMULATION; ETHYLENE; GLASS TRANSITION; MICROSTRUCTURE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; STEREOCHEMISTRY; SUPERCONDUCTING TRANSITION TEMPERATURE;

ETHYLENE-NORBORNENE COPOLYMERS; NORBORNENE; STEREOSPECIFIC COPOLYMERS; STRUCTURE-PROPERTY RELATIONS;

COPOLYMERS;

EID: 33747074378     PISSN: 10221344     EISSN: 15213919     Source Type: Journal    
DOI: 10.1002/mats.200600015     Document Type: Article

References (24)

1. J. Han, R. H. Gee, R. H. Boyd, Macromolecules 1994, 27, 7781.
2. [2a] R. H. Boyd, R. H. Gee, J. Han, Y. Jin, J. Chem. Phys. 1994, 101, 1;
3. [2b] R. H. Boyd, Trends Polym. Sci. 1996, 4, 12.
4. A. V. Lyulin, N. K. Balabaev, M. A. Michels, Macromolecules 2003, 36, 8574.
5. [4a] H. Cherdron, M.-J. Brekner, F. Osan, Angew. Makromol. Chem. 1994, 223, 121;
6. [4b] W. Kaminsky, M. Arndt -Rosenau, "Metallocene-based Polyolefins", J. Scheirs, W. Kaminsky, Eds., Wiley, Chichester 2000.
7. [5a] M. Arndt-Rosenau, I. Buelich, Macromolecules 1999, 32, 7335;
8. [5b] R. A. Wendt, R. Maynott, K. Hauschild, D. Ruchatz, G. Fink, Macromol. Chem. Phys. 1999, 200, 1340.
9. I. Tritto, L. Boggioni, J. Jansen, K. Thorshaug, M. C. Sacchi, D. R. Ferro, Macromolecules 2002, 35, 616.
10. I. Tritto, L. Boggioni, M. C. Sacchi, P. Locatelli, D. R. Ferro, Macromol. Symp. 2004, 218, 39.
11. J. F. Forsyth, T. Scrivani, R. Benavente, C. Marestin, J. M. Perena, J. Appl. Polym. Sci. 2001, 82, 2159.
12. J. Forsyth, J. M. Pereña, R. Benavente, E. Pérez, I. Tritto, L. Boggioni, H.-H. Brintzinger, Macromol. Chem. Phys. 2001, 202, 614.
13. I. Tritto, L. Boggioni, D. R. Ferro, Macromolecules 2004, 37, 9681.
14. F. A. Bovey, "Polymer Conformation and Configuration", Academic Press, New York 1969.
15. A. Provasoli, D. R. Ferro, I. Tritto, L. Boggioni. Macromolecules 1999, 32, 6697.
16. M. Parrinello, A. Rahman, J. Appl. Phys. 1981, 52, 7182.
17. S.L. Mayo, B. D. Olafson, W. A. Goddard III, J. Phys. Chem. 1990, 94, 8897.
18. g are similar. This could be the experimental foundation to the mentioned practice
19. P. Procacci, T. Darden, M. Marchi, J. Phys. Chem. 1996, 100, 10464.
20. P. Procacci, E. Paci, T. Darden, M. Marchi, J. Comput. Chem. 1996, 18, 1848 (www.chim.unifi.it:8080/orac/).
21. -3 for the melt state.
22. I. Tritto, C. Marestin, L. Boggioni, L. Zetta, A. Provasoli, D. R. Ferro, Macromolecules 2000, 33, 8931.
23. N. Ekizoglou, K. Thorshaug, M. L. Cerrada, R. Benavente, E. Perez, J. M. Perena, J. Appl. Polyml. Sci. 2003, 89, 3358.
24. J. R. Fried, B. Li, Comp. Theor. Polym. Sci. 2001, 11, 273.