Selectivity of Carbon Nanotubes under An Electric Field on Transferring Water _ Alcohol Mixtures

International Conference on Mechanical Engineering Research and Application

Winarto^1 ; Yamamoto, Eiji^2 ; Yasuoka, Kenji^3

Department of Mechanical Engineering, Faculty of Engineering, Brawijaya University, Jl. MT Haryono 167, Malang

65145, Indonesia^1

Department of System Design Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama

223-8522, Japan^2

Department of Mechanical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama

223-8522, Japan^3

关键词: Molecular dynamics simulations;    Ordered structures;    Separation membranes;    Strong separations;    transfer;    Water alcohols;    Water-alcohol mixtures;    Water-alcohol solutions;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/494/1/012099/pdf
DOI  :  10.1088/1757-899X/494/1/012099

来源: IOP

【 摘 要 】

Carbon nanotubes (CNTs) have shown a great promise for nanofluidic-based applications such as for separation membranes. Water confined in nanotubes has different properties compared with those in bulk. Therefore, to develop a membrane with CNTs, it is very important to clarify the behavior of water in CNTs. In this study, we show effects of an electric field on water in a CNT by molecular dynamics simulation. An electric field aligns the dipole moment of water molecules and induces formation of an ordered structure in a CNT. As a result, the electrostatic interaction between water molecules within the structure becomes stronger. Strengthening of the electrostatics interaction facilitates water molecules preferring to fill a CNT over alcohol molecules. This indicates a strong separation effect for water-alcohol solutions.