Ritos Konstantinos, Borg Matthew K, Mottram Nigel J, Reese Jason M
Department of Mechanical and Aerospace Engineering, University of Strathclyde, Glasgow G1 1XJ, UK
School of Engineering, University of Edinburgh, Edinburgh EH9 3FB, UK.
Philos Trans A Math Phys Eng Sci. 2016 Feb 13;374(2060). doi: 10.1098/rsta.2015.0025.
The properties of water confined inside nanotubes are of considerable scientific and technological interest. We use molecular dynamics to investigate the structure and average orientation of water flowing within a carbon nanotube. We find that water exhibits biaxial paranematic liquid crystal ordering both within the nanotube and close to its ends. This preferred molecular ordering is enhanced when an axial electric field is applied, affecting the water flow rate through the nanotube. A spatially patterned electric field can minimize nanotube entrance effects and significantly increase the flow rate.
限制在纳米管内的水的性质具有相当大的科学和技术研究价值。我们使用分子动力学方法来研究在碳纳米管内流动的水的结构和平均取向。我们发现，水在纳米管内部及其端部附近均呈现双轴准晶向列相液晶有序排列。当施加轴向电场时，这种择优分子有序排列会增强，从而影响水通过纳米管的流速。空间图案化电场可以使纳米管入口效应最小化，并显著提高流速。
