Fast water channeling across carbon nanotubes in far infrared terahertz electric fields

被引:38
作者
Zhang, Qi-Lin [1 ,2 ]
Yang, Rong-Yao [1 ]
Jiang, Wei-Zhou [1 ]
Huang, Zi-Qian [1 ]
机构
[1] Southeast Univ, Dept Phys, Nanjing 211189, Jiangsu, Peoples R China
[2] Anhui Polytech Univ, Dept Math & Phys, Wuhu 241000, Anhui, Peoples R China
基金
中国国家自然科学基金;
关键词
MOLECULAR-DYNAMICS; TRANSPORT; MEMBRANES; DRIVEN; MOTOR; FLOW; NANOCHANNELS; AQUAPORIN-1; PERMEATION; TRANSITION;
D O I
10.1039/c5nr07281f
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Using molecular dynamics simulations, we investigate systematically the water permeation properties across single-walled carbon nanotubes (SWCNT) in the presence of the terahertz electric field (TEF). With the TEF normal to the nanotube, the fracture of the hydrogen bonds results in the giant peak of net fluxes across the SWCNT with a three-fold enhancement centered around 14 THz. The phenomenon is attributed to the resonant mechanisms, characterized by librational, rotational, and rotation-induced responses of in-tube polar water molecules to the TEF. For the TEF along the symmetry axis of the nanotube, the vortical modes for resonances and consequently the enhancement of net fluxes are greatly suppressed by the alignment of polar water along the symmetry axis, which characterizes the quasi one-dimensional feature of the SWCNT nicely. The resonances of water molecules in the TEF can have potential applications in the high-flux device designs used for various purposes.
引用
收藏
页码:1886 / 1891
页数:6
相关论文
共 60 条
[1]   Water dynamics and dewetting transitions in the small mechanosensitive channel MscS [J].
Anishkin, A ;
Sukharev, S .
BIOPHYSICAL JOURNAL, 2004, 86 (05) :2883-2895
[2]   Liquid-vapor oscillations of water in hydrophobic nanopores [J].
Beckstein, O ;
Sansom, MSP .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2003, 100 (12) :7063-7068
[3]   A hydrophobic gating mechanism for nanopores [J].
Beckstein, O ;
Biggin, PC ;
Sansom, MSP .
JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (51) :12902-12905
[4]   THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS [J].
BERENDSEN, HJC ;
GRIGERA, JR ;
STRAATSMA, TP .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) :6269-6271
[5]   Electrokinetics at Aqueous Interfaces without Mobile Charges [J].
Bonthuis, Douwe Jan ;
Horinek, Dominik ;
Bocquet, Lyderic ;
Netz, Roland R. .
LANGMUIR, 2010, 26 (15) :12614-12625
[6]   High-power terahertz radiation from relativistic electrons [J].
Carr, GL ;
Martin, MC ;
McKinney, WR ;
Jordan, K ;
Neil, GR ;
Williams, GP .
NATURE, 2002, 420 (6912) :153-156
[7]   Ultrabroadband terahertz source and beamline based on coherent transition radiation [J].
Casalbuoni, S. ;
Schmidt, B. ;
Schmueser, P. ;
Arsov, V. ;
Wesch, S. .
PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS, 2009, 12 (03)
[8]   Electric field effects on water clusters (n=3-5):: Systematic ab initio study of structures, energetics, and transition states [J].
Choi, YC ;
Pak, C ;
Kim, KS .
JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (09)
[9]   Designing carbon nanotube membranes for efficient water desalination [J].
Corry, Ben .
JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (05) :1427-1434
[10]   PARTICLE MESH EWALD - AN N.LOG(N) METHOD FOR EWALD SUMS IN LARGE SYSTEMS [J].
DARDEN, T ;
YORK, D ;
PEDERSEN, L .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (12) :10089-10092