Effects of Orthogonal Electric Field on Water Flux through a Carbon Nanotube

被引:5
作者
Ge Zhen-Peng [1 ]
Shi Yan-Chao [1 ]
Li Xiao-Yi [1 ]
机构
[1] Univ Chinese Acad Sci, Coll Mat Sci & Optoelect Technol, Beijing 100049, Peoples R China
基金
中国国家自然科学基金;
关键词
Carbon nanotube; Orthogonal electric field; Molecular dynamics simulation; Flux of water molecules; Gating; MOLECULAR-DYNAMICS; TRANSPORT; MEMBRANE; CHANNEL; PERMEATION; CONDUCTION; SIMULATION;
D O I
10.3866/PKU.WHXB201305222
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Water transport in nanopores is important for many biological processes and the design of nanodevices. It has been demonstrated that water molecules are transported through a (6,6)-type carbon nanotube (CNT) by forming single-file chains. However, a controllable water flow through a CNT remains difficult to achieve. In this paper, we investigated how to control the net flux of water molecules transported through a CNT and the on-off gating behavior of the CNT using an orthogonal electric field. With a 200 MPa pressure difference acting on the top of the first layer of water molecules as the driving force, the net flux of water molecules decreased linearly as the orthogonal electric field strength (E) increased from 1 to 3 V . nm(-1). When E increased over 3 V . nm(-1), the flow of water molecules through the CNT was turned off and the net flux was almost zero. Both the orientation of water dipoles and flipping frequency were strongly correlated with the water occupancy in this case.
引用
收藏
页码:1655 / 1660
页数:6
相关论文
共 37 条
[1]   Effect of field direction on electrowetting in a nanopore [J].
Bratko, Dusan ;
Daub, Christopher D. ;
Leung, Kevin ;
Luzar, Alenka .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (09) :2504-2510
[2]   HOW TO MAKE WATER RUN UPHILL [J].
CHAUDHURY, MK ;
WHITESIDES, GM .
SCIENCE, 1992, 256 (5063) :1539-1541
[3]   Electric field-controlled water permeation coupled to ion transport through a nanopore [J].
Dzubiella, J ;
Allen, RJ ;
Hansen, JP .
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (11) :5001-5004
[4]   A SMOOTH PARTICLE MESH EWALD METHOD [J].
ESSMANN, U ;
PERERA, L ;
BERKOWITZ, ML ;
DARDEN, T ;
LEE, H ;
PEDERSEN, LG .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (19) :8577-8593
[5]   Molecular Origin of Fast Water Transport in Carbon Nanotube Membranes: Superlubricity versus Curvature Dependent Friction [J].
Falk, Kerstin ;
Sedlmeier, Felix ;
Joly, Laurent ;
Netz, Roland R. ;
Bocquet, Lyderic .
NANO LETTERS, 2010, 10 (10) :4067-4073
[6]   Competition between hydrogen bonding and electric field in single-file transport of water in carbon nanotubes [J].
Figueras, Luis ;
Faraudo, Jordi .
MOLECULAR SIMULATION, 2012, 38 (01) :23-25
[7]   Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes [J].
Garate, Jose-Antonio ;
English, Niall J. ;
MacElroy, J. M. D. .
JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (11)
[8]   A charge-driven molecular water pump [J].
Gong, Xiaojing ;
Li, Jingyuan ;
Lu, Hangjun ;
Wan, Rongzheng ;
Li, Jichen ;
Hu, Jun ;
Fang, Haiping .
NATURE NANOTECHNOLOGY, 2007, 2 (11) :709-712
[9]   Fast mass transport through sub-2-nanometer carbon nanotubes [J].
Holt, JK ;
Park, HG ;
Wang, YM ;
Stadermann, M ;
Artyukhin, AB ;
Grigoropoulos, CP ;
Noy, A ;
Bakajin, O .
SCIENCE, 2006, 312 (5776) :1034-1037
[10]   Water conduction through the hydrophobic channel of a carbon nanotube [J].
Hummer, G ;
Rasaiah, JC ;
Noworyta, JP .
NATURE, 2001, 414 (6860) :188-190