Structure of water confined inside carbon nanotubes and water models

Materials Chemistry and Physics

Volumn 132, Issue 2-3, 2012, Pages 682-687

  Nakamura, Yoshimichi ^a   Ohno, Takahisa ^b  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Diffusion; Molecular dynamics; Nanostructures; Phase transitions

Indexed keywords

CARBON NANOTUBES; DIFFUSION; MOLECULAR DYNAMICS; NANOSTRUCTURES; NANOTUBES; PHASE TRANSITIONS; YARN;

ANOMALOUS BEHAVIOR; MODEL ACCURACY; MOLECULAR DYNAMICS SIMULATIONS; RESERVOIR WATER; SITE MODELING; STRUCTURE OF WATERS; WATER MODELS; WATER STRUCTURE;

RESERVOIRS (WATER);

EID: 84856599238     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2011.11.086     Document Type: Article

References (25)

1. K. Koga, G. T. Gao, H. Tanaka, X. C. Zeng, Nature 412 (2001) 802.
2. C. F. Luo, W. Fa, J. Zhou, J. M. Dong, X. C. Zeng, NANO Lett. 8 (2008) 2607.
3. F. Mikami, K. Matsuda, H. Kataura, Y. Maniwa, ACS Nano3 (2009) 1279.
4. J. Bai, J. Wang, X. C. Zeng, PNAS 103 (2006) 19664.
5. Y. Liu, Q. Wang, T. Wu, L. Zhang, J. Chem. Phys. 123 (2005) 234701.
6. G. Hummer, J. C. Rasaiah, J. P. Noworyta, Nature 414 (2001) 188.
7. R. J. Mashl, S. Joseph, N. R. Aluru, E. Jakobsson, NANO Lett. 3 (2003) 589.
8. A. Alexiadis, S. Kassinos, Chem. Eng. Sci. 63 (2008) 2047.
9. W. H. Noon, K. D. Ausman, R. E. Smalley, J. Ma, Chem. Phys. Lett. 355 (2002) 445.
10. R. Wan, H. Lu, J. Li, J. Bao, J. Hu, H. Fang, Phys. Chem. Chem. Phys. 11 (2009) 9898.
11. Y. Nakamura, T. Ohno, Phys. Chem. Chem. Phys. 13 (2011) 1064.
12. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, M. L. Klein, J. Chem. Phys. 79 (1983) 926.
13. H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma, J. Phys. Chem. 91 (1987) 6269.
14. M. W. Mahoney, W. L. Jorgensen, J. Chem. Phys. 112 (2000) 8910.
15. S. W. Rick, J. Chem. Phys. 120 (2004) 6085.
16. R. G. Fernández, J. L. F. Abascal, C. Vega, J. Chem. Phys. 124 (2006) 144506.
17. A. Alexiadis, S. Kassinos, Chem. Rev. 108 (2008) 5014.
18. D. A. Case, et al., AMBER 9, Univ. California, 2006.
19. T. Darden, D. York, L. Pedersen, J. Chem. Phys. 98 (1993) 10089.
20. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, J. R. Haak, J. Chem. Phys. 81 (1984) 3684.
21. M. W. Mahoney, W. L. Jorgensen, J. Chem. Phys. 114 (2001) 363.
22. R. Mills, J. Phys. Chem. 77 (1973) 685.
23. W. S. Price, H. Ide, Y. Arata, J. Phys. Chem. A 103 (1999) 448.
24. P. Mark, L. Nilsson, J. Phys. Chem. A 105 (2001) 9954.
25. E. Neria, J. Phys. Chem. 105 (1996) 1902.