Investigation of Transport Properties of Water–Methanol Solution through a CNT with Oscillating Electric Field

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• 作者：Honglei WangJin Shi ; Guokui Liu ; Yongqin Zhang ; Jingjing Zhang ; Shenmin Li
• 刊名：Journal of Physical Chemistry B
• 出版年：2017
• 出版时间：February 9, 2017
• 年：2017
• 卷：121
• 期：5
• 页码：1041-1053
• 全文大小：1140K
• ISSN：1520-5207

文摘

Molecular dynamics simulations were used to investigate the transport properties of water–methanol solution getting through a carbon nanotube (CNT) with an oscillating electric field. Eight alternating electric fields with different oscillation periods were used in this work. Under the oscillating electric field, water molecules have the advantage of occupying a CNT over methanol molecules. Meanwhile, the space occupancy of water–methanol solution in the CNT increases as the oscillating period increases. More importantly, we found that the oscillating period of electric field affects the van der Waals interaction of the solution inside the CNT and the shell of the CNT, which results in the change in the number of hydrogen bonds in the water–methanol solution confined in the CNT. And the change in the hydrogen-bond network leads to the change in transport properties of water–methanol solution.