Jae Hyun Park et al 2006 Nanotechnology 17 895 doi:10.1088/0957-4484/17/3/046
Jae Hyun Park1, Susan B Sinnott2 and N R Aluru1,3,4
Show affiliationsUsing molecular dynamics simulations, we show that a Y-junction carbon nanotube can be used to separate K+ and Cl− ions from a KCl solution. The Y-junction nanotube is formed by connecting two smaller carbon nanotube branches of sizes (5, 5) and (6, 6) to a larger (8, 8) carbon nanotube. While uncharged (5, 5) and (6, 6) carbon nanotubes show close to zero occupancy of K+ and Cl− ions, we show that a negatively charged (5, 5) carbon nanotube and a positively charged (6, 6) carbon nanotube can be selective to K+ and Cl− ions, respectively. By performing molecular dynamics simulations on the entire system comprising the Y-junction carbon nanotube, the KCl solution chamber, the push plate and the receiving chamber, we show that as the electrolyte moves through the (8, 8) carbon nanotube the K+ and the Cl− ions can be selectively transported through the (5, 5) and the (6, 6) carbon nanotube, respectively. The formation of ion pairs can affect the separation efficiency and we discuss the conditions under which perfect separation can be obtained.
61.43.Bn Structural modeling: serial-addition models, computer simulation
Issue 3 (14 February 2006)
Received 16 September 2005, in final form 23 November 2005
Published 16 January 2006
Jae Hyun Park et al 2006 Nanotechnology 17 895
J B Greenwood et al 2003 J. Phys. B: At. Mol. Opt. Phys. 36 L235
Luis Lehner et al 2004 Class. Quantum Grav. 21 5819
Ramón López-Alemán et al 2003 Class. Quantum Grav. 20 3259
Raffaella Schneider 2001 Class. Quantum Grav. 18 4013
Nobuyuki Kanda et al 2003 Class. Quantum Grav. 20
W. H. T. Vlemmings et al. 2007 ApJ 656 198
Elaine A Ryan and Michael J Farquharson 2007 Phys. Med. Biol. 52 6679
J Svennebring et al 2007 J. Micromech. Microeng. 17 2469
J E Lillhök et al 2007 Phys. Med. Biol. 52 4953