Effect of the Carbon-Nanotube Length on Water Permeability
LI Jing-Yuan1, 2, YANG Zai-Xing1,2, FANG Hai-Ping2, ZHOU Ru-Hong3,4, TANG Xiao-Wei1
1Department of Physics, Zhejiang University, Hangzhou 3100272Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 2018003IBM Thomas J. Watson Research Center, Yorktown Heights, NY 10598, USA4Department of Chemistry, Columbia University, New York, NY 10027, USA
Effect of the Carbon-Nanotube Length on Water Permeability
LI Jing-Yuan1;2;YANG Zai-Xing1,2;FANG Hai-Ping2;ZHOU Ru-Hong3,4, TANG Xiao-Wei1
1Department of Physics, Zhejiang University, Hangzhou 3100272Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 2018003IBM Thomas J. Watson Research Center, Yorktown Heights, NY 10598, USA4Department of Chemistry, Columbia University, New York, NY 10027, USA
摘要Effect of the carbon nanotube (CNT) channel length on the water flow through the CNT is studied using molecular dynamics simulations. The water flow is found to decay with the channel length (～1/N2.3, N is the number of carbon rings along the nanotube axis), much faster than that predicted by a previous continuous-time random walk (CTRW) model (～1/N). This unexpected decay rate of flow is found to result from the weakening of the correlation of the concerted motion of the water molecules inside the CNT. An improved CTRW model is then proposed by taking into account of this effect. Meanwhile, the diffusion constant of water molecules inside CNTs with various lengths is found to be relatively invariant, which results in a relatively constant hopping rate.
Abstract：Effect of the carbon nanotube (CNT) channel length on the water flow through the CNT is studied using molecular dynamics simulations. The water flow is found to decay with the channel length (～1/N2.3, N is the number of carbon rings along the nanotube axis), much faster than that predicted by a previous continuous-time random walk (CTRW) model (～1/N). This unexpected decay rate of flow is found to result from the weakening of the correlation of the concerted motion of the water molecules inside the CNT. An improved CTRW model is then proposed by taking into account of this effect. Meanwhile, the diffusion constant of water molecules inside CNTs with various lengths is found to be relatively invariant, which results in a relatively constant hopping rate.
LI Jing-Yuan;;YANG Zai-Xing;FANG Hai-Ping;ZHOU Ru-Hong; TANGXiao-Wei. Effect of the Carbon-Nanotube Length on Water Permeability[J]. 中国物理快报, 2007, 24(9): 2710-2713.
LI Jing-Yuan, YANG Zai-Xing, FANG Hai-Ping, ZHOU Ru-Hong, TANGXiao-Wei. Effect of the Carbon-Nanotube Length on Water Permeability. Chin. Phys. Lett., 2007, 24(9): 2710-2713.
[1] Sholl D S and Johnson J K 2006 Science 312 1003 [2] Holt J K et al 2006 Science 3121034 [3] Whitby M and Quirke N 2007 Nat. Nanotechnol. 287 [4] Bourlon B, Wong J, Miko C, Forro L and Bockrath M 2007 Nat. Nanotechnol. 2 104 [5] Sun L and Crooks R 2000 J. Am. Chem. Soc. 122 12340 [6] Gao H, Cui D, Kong Y and Ozkan C S 2003 Nano Lett. 3471 [7] Hummer G, Rasalah J C and Noworyta J P 2001 Nature 414188 [8] Kalra A, Garde S and Hummer G 2001 Nature 414 188 [9] Wan R, Li J, Lu H and Fang H 2001 J. Am. Chem. Soc. 127 716 [10] Li J, Gong X, Lu H, Li D, Fang H and Zhou R 2007 Proc.Natl. Acad. Sci. USA 104 3687 [11] Zhu F and Schulten K 2003 Biophys. J. 85 236 [12] Beckstein O and Sansom M S P 2003 Proc. Natl. Acad. Sci. USA 100 7063 [13] Zhou R, Huang X, Margulis C J and Berne B J 2004 Science 305 1605 [14] Mashl R J, Joseph S, Aluru N R and Jakobsson E 2003 NanoLett. 3 589 [15] Majumder M, Chopra N, Andrews R and Hinds B J 2005 Nature 438 44 [16] Reiter G et al. 2006 Phys. Rev. Lett. 97 247801 [17] Koga K, Gao G, Tanaka H and Zeng X 2001 Nature 412 802 [18] Raghunathan A V and Aluru N R 2006 Phys. Rev. Lett. 97 024501 [19] Berezhkovskii A and Hummer G 2002 Phys. Rev. Lett. 89 064503 [20] Saparov S M, Pfeifer J R, Al-Momani L, Portella G, de Groot BL, Koert U and Pohl P 2006 Phys. Rev. Lett. 96 148101 [21] de Groot B L and Grubmuller H 2001 Science 294 2353
2007, Vol. 24 
