Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes
Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes
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DOI：
10.1063/1.3227042
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发表时间：
2009-09-21
影响因子：
4.4
通讯作者：
MacElroy, J. M. D.
中科院分区：
文献类型：
--
作者：
Garate, Jose-Antonio;English, Niall J.;MacElroy, J. M. D.
水通过单壁碳纳米管（SWCNTs）插入正常的磷脂膜的自扩散已经研究了使用平衡和非平衡分子动力学模拟在静态和交变电场的存在下。研究了四种不同的SWCNT：（5，5）、（6，6）、（8，8）和（11，11），以及分别由15、20和25埃分开的四个（6，6）SWCNT的三个阵列。（5，5）系统显示出有趣的行为，其中在z方向上施加的场频率的增加降低了水渗透速率，在类似于零场条件的较高频率处达到值。（6，6）阵列模拟表明，当纳米管紧密堆积时，存在摩擦效应，这阻碍了单个水文件的移动。(C)2009年美国物理学会。[doi：10.1063/1.3227042]
Water-self-diffusion through single-walled carbon nanotubes (SWCNTs) inserted normal to a phospholipid membrane has been studied using equilibrium and nonequilibrium molecular dynamics simulations in the presence of static and alternating electrical fields. Four different SWCNTs were investigated: (5,5), (6,6), (8,8), and (11,11) and also three arrays of four (6,6) SWCNTs separated by 15, 20, and 25 angstrom, respectively. The (5,5) system shows interesting behavior, where an increase in the applied field frequency in the z direction decreases the water permeation rates, reaching values at higher frequencies similar to zero-field conditions. The (6,6) arrays simulations demonstrated that there is a friction effect, when the nanotubes are closely packed, which retards the movement of the individual water files. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3227042]