Connectivity-altering Monte Carlo simulations of the end group effects on volumetric properties for poly(ethylene oxide)

Macromolecules

Volumn 37, Issue 18, 2004, Pages 7026-7033

  Wick, Collin D ^a   Theodorou, Doros N ^a  

^a NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; EQUATIONS OF STATE; MICROSCOPIC EXAMINATION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHASE EQUILIBRIA; POLYETHYLENE GLYCOLS; POLYMERIZATION; THERMODYNAMICS;

MONTE CARLO ALGORITHMS; NANOPARTICLE FILLERS; POLYMER SURFACTANTS;

POLYETHYLENE OXIDES;

EID: 4544374432     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma049193r     Document Type: Article

References (41)

1. Cappello, B.; Del Nobile, M. A.; La Rotonda, M. I.; Mensitieri, G.; Miro, A.; Nicolais, L. Parmaco 1994, 49, 809.
2. Jeon, S. I.; Lee, J. H.; Andrade, J. D.; de Gennes, P. G. J. Colloid Interface Sci. 1991, 142, 129.
3. O'Neill, M. L.; Cao, Q.; Fang, M.; Johnston, K. P.; Wilkinson, S. P.; Smith, C. D.; Kerschner, J. L.; Jureller, S. H. Ind. Eng. Chem. Res. 1998, 37, 3067.
4. Drohmann, C.; Beckman, E. J. J. Supercrit. Fluids 2002, 22, 103.
5. Gray, F. M. Polymer Electrolytes; The Royal Society of Chemistry: Cambridge, U.K., 1997.
6. Bruce, P. G.; Vincent, C. A. J. Chem. Soc., Faraday Trans. 1993, 89, 3187.
7. Croce, F.; Appetecchi, G. B.; Persi, L. Scrosati, B. Nature (London) 1998, 394, 456.
8. Ding, J. Maitra, P.; Wunder, S. L. J. Polym. Sci. 2003, 41, 1978.
9. Johnson, J. A.; Sabourngi, M. L. Price, D. L.; Ansell, S. J. Chem. Phys. 1998, 109, 7005.
10. Borodin, O.; Douglas, R.; Smith G. D.; Trouw, F.; Petrucci, S. J. Phys. Chem. B 2003, 107, 6813.
11. Lin, B.; Boinske, P. T.; Halley, J. W. J. Chem. Phys. 1996, 105, 1668.
12. Müller-Plathe, F. Acta Polym. 1994, 45, 259.
13. Sasanauma, Y.; Ohta, H.; Touma, I.; Matoba, H.; Hayashi, Y.; Kaito, A. Macromolecules 2002, 35, 3748.
14. Auhl, R.; Everaers, R.; Grest, G. S.; Kremer, K.; Plimpton, S. J. J. Chem. Phys. 2003, 119, 12718.
15. Pant, P. V. K.; Theodorou, D. N. Macromolecules 1996, 28, 7224.
16. Karayiannis, N. C.; Mavrantzas, V. G.; Theodorou, D. N. Phys. Rev. Lett. 2002, 88, 105503.
17. Theodorou, D. N. in Nielaba, P.; Mareschal, M.; Ciccotti, G. (Eds.) Bridging Time Scales: Molecular Simulations for the Next Decade Springer-Verlag: Berlin, 2002; p 67.
18. Dee, G. T.; Ougizawa, T.; Walsh, D. J. Polymer 1992, 33, 3462.
19. Zoller, P.; Walsh, D. J. Standard Pressure-Volume-Tem-perature Data for Polymers; Technomic Publishing Company: Lancaster, PA, 1995.
20. Flory, P. J.; Orwoll, R. A.; Vrij, A. J. Am. Chem. Soc. 1964, 86, 3507.
21. Lennard-Jones, J. E.; Devonshire, A. F. Proc. R. Soc. London, A 1937, 163, 53.
22. Smith, G. D.; Jaffe, R. L.; Yoon, D. Y. J. Phys. Chem. 1993, 97, 12752.
23. Borodin, O.; Smith, G. D. J. Phys. Chem. B 2003, 107, 6801.
24. Rigby, D.; Sun, H.; Eichinger, B. E. Polym. Int. 1997, 4, 880.
25. Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 1998, 102, 2569.
26. Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 1999, 103, 4508.
27. Wick, C. D.; Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 2000, 104, 8008.
28. Chen, B.; Potoff, J. J.; Siepmann, J. I. J. Phys. Chem. B 2001, 105, 3093.
29. Stubbs, J. M.; Potoff, J. J.; Siepmann, J. I. J. Phys. Chem. B, submitted for publication.
30. Jorgensen, W. L.; Madura, J. D.; Swenson, C. J. J. Am. Chem. Soc. 1984, 106, 813.
31. Lorentz, H. A. Ann. Phys. 1881, 12, 127.
32. Berthelot, D. C. R. Hebd. Seances Acad Sci. 1889, 126, 127.
33. Mavrantzas, V. G.; Boone, T. D.; Zervopoulou, E.; Theodorou, D. N. Macromolecules 1999, 32, 5072.
34. Doxastakis, M.; Mavrantzas, V. G.; Theodorou, D. N. J. Chem. Phys. 2001, 115, 11339.
35. Gestoso, P.; Nicol, E.; Doxastakis, M.; Theodorou, D. N. Macromolecules 2003, 36, 6925.
36. Siepmann, J. I. Mol. Phys. 1990, 70, 1145.
37. de Pablo, J. J. Laso, M.; Suter, U. W. J. Chem. Phys. 1992, 96, 2395.
38. Wick, C. D.; Siepmann, J. I. Macromolecules, 2000, 33, 7207.
39. Banaszak B. J.; de Pablo J. J. J. Chem. Phys. 2003, 4, 2456.
40. Smith, G. D.; Yoon, D. Y.; Jaffe, R. L.; Colby, R. H.; Krishnamoorti, R. ; Fetters, L. J. Macromolecules 1996, 29, 3462.
41. Annis, B. K.; Borodin, O.; Smith, G. D.; Benmore, C. J.; Soper, A. K.; Londono, J. D. J. Chem. Phys. 2001, 115, 10998.