Coarse-grained simulations of amorphous and melted polyethylene

Chemical Physics Letters

Volumn 436, Issue 1-3, 2007, Pages 189-193

  Curcó, David ^a   Alemán, Carlos ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MATERIALS; COMPUTER SIMULATION; CRYSTAL MICROSTRUCTURE; MATHEMATICAL MODELS; MICROSTRUCTURE; MOLECULAR DYNAMICS;

ATOMISTIC MICROSTRUCTURES; COARSE-GRAINED MODELS; MESOSCOPIC PARTICLES;

POLYETHYLENES;

EID: 33846833781     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.01.031     Document Type: Article

References (19)

1. Baschnagel J., et al. Adv. Polym. Sci. 152 (2000) 41
2. Müller-Plate F. Chem. Phys. Chem. 3 (2002) 754
3. Kremer K. Macromol. Chem. Phys. 204 (2003) 257
4. Theodorau D.N. Comput. Phys. Commun. 169 (2005) 82
5. Fraaije J.G.E.M., et al. Chem. Phys. 106 (1997) 4260
6. Bagci Z., Jernigan R.L., and Bahar I. Polymer 43 (2002) 451
7. Delle Site L., Abrams C., Alavi A., and Kremer K. Phys. Rev. Lett. 89 (2002) 156103
8. Padding J.T., and Briels W.J. J. Chem. Phys. 117 (2002) 925
9. Fetters L.J., Lohse D.J., Richter D., Witten T.A., and Zirkel A. Macromolecules 27 (1994) 4639
10. Curcó D., and Alemán C. J. Chem. Phys. 119 (2003) 2915
11. Curcó D., and Alemán C. J. Comput. Chem. 25 (2004) 790
12. Curcó D., Laso M., and Alemán C. J. Phys. Chem. B 108 (2004) 20331
13. Dodd L., and Theodorou D. Adv. Polym. Sci. 116 (1994) 249
14. Weiner S.J., Kollman P.A., Nguyen D.T., and Case D.A. J. Comput. Chem. 7 (1986) 230
15. León S., Alemán C., Muñoz S., and Laso M. Comput. Theor. Polym. Sci. 10 (2000) 177
16. Léon S., Navas J.J., and Alemán C. Polymer 40 (1999) 7351
17. Curcó D., Zanuy D., and Alemán C. J. Comput. Chem. 24 (2003) 1208
18. van Krevelen D.V. Properties of Polymers, Their Estimation and Correlation With Chemical Structure (1976), Elsevier, Amsterdam, The Netherlands
19. Mattice W.L., and Suter U.W. Conformational Theory of Large Molecules. The Rotational Isomeric State Model in Macromolecular Systems (1994), John Wiley & Sons Inc., New York