Structure of atactic polystyrene: a molecular dynamics simulation study

Macromolecules

Volumn 33, Issue 16, 2000, Pages 6194-6199

  Ayyagari, Chakravarthy ^a   Bedrov, Dmitry ^a   Smith, Grant D ^a  

^a Department of Electrical and Computer Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTER SIMULATION; DIMERS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; POLYMERIZATION; THERMAL EFFECTS; X RAY SCATTERING;

ATACTIC POLYSTYRENE; BACKBONE ATOMS; DIPHENYLPENTANE; MOLECULAR DYNAMIC SIMULATION; QUANTUM CHEMISTRY;

POLYSTYRENES;

EID: 0034249544     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma0003553     Document Type: Article

References (18)

1. Katz, J. R. Trans. Faraday Soc. 1936, 32, 77.
2. Schubach, H. R.; Nagy, E.; Heise, B. Colloid Polym. Sci. 1981, 259, 789.
3. Mitchell, G. R.; Windle, A. H. Polymer 1984, 25, 906.
4. Adams, R.; Balyuzi, H. H.; Burge, R. E. J. Mater. Sci. 1972, 7, 1249.
5. Mondello, M.; Yang, H. J.; Furuya, H.; Roe, R. J. Macromolecules 1994, 27, 3566.
6. Han, J.; Boyd, R. H. Polymer 1996, 37, 1797.
7. Jaffe, R. L.; Smith, G. D. J. Chem. Phys. 1996, 105, 2780.
8. Smith, G. D.; Jaffe, R. L. J. Phys. Chem. 1996, 100, 9624.
9. Smith, G. D.; Ayyagari, C.; Jaffe, R. L.; Pekny, M.; Bernarbo, A J. Phys. Chem. A 1998, 102, 4694.
10. Gunsteren, W. F.; Berendsen, H. J. C. Mol. Phys. 1982, 45, 637.
11. Brandrup, J.; Immergut, E. H.; Grulke, E. A. Polymer Handbook; John Wiley and Sons Inc.: New York, 1999.
12. Doi, M.; Edwards, S. F. The Theory of Polymer Dynamics; Oxford University Press: New York, 1986.
13. Ryckaert, J.; Ciccotti, G.; Berendsen, H. J. C. J. Comput. Phys. 1997, 23, 327.
14. Martyna, G. J.; Tuckerman, M. E.; Tobias, D. J.; Klein, M. L. Mol. Phys. 1996, 87, 1117.
15. International Union of Crystallography. International tables for X-ray crystallography; Kynoch Press: Birmingham, England, 1969.
16. Kotelyanskii, M.; Wagner, N. J.; Paulaitis, M. E. Macromolecules 1996, 29, 8497.
17. (17l Moritani, T.; Fujiwara, Y. J. Chem. Phys. 1973, 59, 1175.
18. Ayyagari, C. Molecular Dynamics Simulations of Polystyrene and Its Oligomers. Masters Thesis, University of Utah, 1999.