Molecular dynamics simulations of the interactions and dispersion of carbon nanotubes in polyethylene oxide/water systems

Polymer

Volumn 52, Issue 2, 2011, Pages 288-296

  Uddin, Nasir M ^a   Capaldi, Franco M ^a   Farouk, Bakhtier ^a  

^a Drexel University   (United States)

Author keywords

Carbon nanotube; Molecular dynamics simulations; Potential of mean force

Indexed keywords

DISPERSIONS; MOLECULAR DYNAMICS; MOLECULES; PLASMA INTERACTIONS; POLYETHYLENE OXIDES; POLYETHYLENES; YARN;

ADAPTIVE BIASING FORCES; ATOMIC INTERACTIONS; COMPUTATIONAL STUDIES; ENTROPIC CONTRIBUTIONS; INTERACTION MECHANISMS; MOLECULAR DYNAMICS SIMULATIONS; POLYETHYLENE OXIDE (PEO); POTENTIAL OF MEAN FORCE;

CARBON NANOTUBES;

EID: 78651394588     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2010.11.056     Document Type: Article

References (35)

1. S. Iijima Nature 56 1991 56 58
2. P.M. Ajayan Chemical Review 99 1999 1789 1799
3. A. Thess Science 273 1996 483 487
4. J.P. Salvetat Applied Physics A-Materials Science & Processing 69A 1999 255 260
5. B.G. Demcyk Material Science & Engineering A A334 2004 173 178
6. J. Sandler, M.S.P. Shaffer, T. Prasse, W. Bauhofer, K. Schulte, and A.H. Windle Polymer Communication 40 21 1999 5967 5971
7. S.S. Rahatekar, A. Rasheed, R. Jain, M. Zammarano, K.K. Koziol, and A.H. Windle Polymer 50 19 2009 4577 4583
8. S.B. Kharchenko, J.F. Douglas, J. Obrzut, E.A. Grulke, and K.B. Migler Nature Materials 3 2004 564 568
9. G.S. Zhuang, G.X. Sui, Z.S. Sun, and R. Yang Journal of Applied Polymer Science 102 4 2006
10. Y. Dror, W. Salalha, R.L. Khalfin, Y. Cohen, A.L. Yarin, and E. Zussman Langmuir 19 2003 7012 7020
11. F. Ko, Y. Gogotsi, A. Ali, N. Naguib, H. Ye, and G. Yang Advanced Materials 15 2003 1161 1165
12. X.-L. Xie, Y.-W. Maia, and X.-P. Zhou Materials Science and Engineering Review 49 2005 89 112
13. M.K. Shin, Y.J. Kim, S.I. Kim, S.-K. Kim, H. Lee, and G.M. Spinks Sensors and Actuators B: Chemical 134 1 2008 122 126
14. Y. Dror, W. Salalha, R.L. Khalfin, Y. Cohen, A.L. Yarin, and E. Zussman Langmuir 19 17 2003 7012 7020
15. Ko F, Kahn S, Rahman A, and Zhou O. Carbon nanotube reinforced nanocomposites by the electrospinning process. ASC 16th Annual Technical Conference. Blacksburg, VA; 2001.
16. O. Borodin, G.D. Smith, R. Bandyopadhyaya, P. Redfern, and L.A. Curtiss Modelling and Simulation in Materials Science Engineering 12 2004 S73 S89
17. J. Ennari, I. Neelov, and F. Sundholm Computational and Theoretical Polymer Science 10 2000 403 410
18. O. Borodin, F. Trouw, D. Bedrov, and G.D. Smith Journal of Physical Chemistry B 106 20 2002 5184 5193
19. J. Pang, G. Xu, S. Yuan, Y. Tan, and F. He Colloids and Surfaces A: Physicochemical and Engineering Aspects 350 2009 101 108
20. Y.K. Kang, O.-S. Lee, P. Deria, S.H. Kim, T.-H. Park, and D.A. Bonne Nano Letters 9 4 2009 1414 1418
21. Mih Panhuis, A. Maiti, A.B. Dalton, Avd Noort, J.N. Coleman, and B. McCarthy Journal of Physical Chemistry B 107 2 2003 478 482
22. V. Lordi, and N. Yao Journal of Materials Research 15 12 2000 2770 2779
23. R. Qiao, and P.C. Ke Journal of American Chemical Society 128 42 2006 13656 13657
24. N.M. Uddin, F. Capaldi, and B. Farouk Journal of Engineering Materials and Technology 132 2 2009 021012 021015
25. NAMD Scalable molecular dynamics 2009 Beckman Institute for Advanced Science and Technology, National Institutes of Health, National Science Foundation, Physics, Computer Science, and Biophysics at UIUC
26. X. Wu, and B.R. Brooks Chemical Physics Letters 381 2003 512 518
27. S.E. Feller, Y. Zhang, and R.W. Pastor Journal of Chemical Physics 103 1995
28. D.J. Price, and C.L. Brooks III Journal of Chemical Physics 121 2004 10096 10103
29. A.D. MacKerell, D. Bashford, M. Bellott, R.L. Dunbrack, J.D. Evanseck, and M.J. Field Journal of Physical Chemistry B 102 1998
30. N.B. Holland, Z. Xu, K. Vacheethasanee, and R.E. Marchant Macromolecules 34 2001 6424 6430
31. B. Hammouda, D.L. Ho, and S. Kline Macromolecules 37 2004 6932 6937
32. E. Sobolewski, M. Makowski, C. Czaplewski, A. Liwo, S. Ołdziej, and H.A. Scheraga Journal of Physical Chemistry B 111 2007 10765 10774
33. L. Li, D. Bedrov, and G.D. Smith Journal of Physical Chemistry B 110 2006 10509 10513
34. N. Choudhury, and B.M. Pettitt Journal of Physical Chemistry B 110 2006 8459 8463
35. L. Li, D. Bedrov, and G.D. Smith Journal of Chemical Physics 123 2005 204504 204507