How fast does water flow in carbon nanotubes?

被引:252
作者
Kannam, Sridhar Kumar [1 ,2 ]
Todd, B. D. [1 ,2 ]
Hansen, J. S. [3 ]
Daivis, Peter J. [4 ]
机构
[1] Swinburne Univ Technol, Math Discipline, Fac Engn & Ind Sci, Melbourne, Vic 3122, Australia
[2] Swinburne Univ Technol, Ctr Mol Simulat, Melbourne, Vic 3122, Australia
[3] Roskilde Univ, Dept Sci Syst & Models, IMFUFA, DNRF Ctr Glass & Time, DK-4000 Roskilde, Denmark
[4] RMIT Univ, Sch Appl Sci, Melbourne, Vic 3001, Australia
关键词
FAST MASS-TRANSPORT; FLUID-FLOW; MEMBRANES; HYDRODYNAMICS; SIMULATIONS; SYSTEMS; SIZE;
D O I
10.1063/1.4793396
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
The purpose of this paper is threefold. First, we review the existing literature on flow rates of water in carbon nanotubes. Data for the slip length which characterizes the flow rate are scattered over 5 orders of magnitude for nanotubes of diameter 0.81-10 nm. Second, we precisely compute the slip length using equilibrium molecular dynamics (EMD) simulations, from which the interfacial friction between water and carbon nanotubes can be found, and also via external field driven non-equilibrium molecular dynamics simulations (NEMD). We discuss some of the issues in simulation studies which may be reasons for the large disagreements reported. By using the EMD method friction coefficient to determine the slip length, we overcome the limitations of NEMD simulations. In NEMD simulations, for each tube we apply a range of external fields to check the linear response of the fluid to the field and reliably extrapolate the results for the slip length to values of the field corresponding to experimentally accessible pressure gradients. Finally, we comment on several issues concerning water flow rates in carbon nanotubes which may lead to some future research directions in this area. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4793396]
引用
收藏
页数:9
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