Abstract
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.
Original language | English |
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Article number | 012099 |
Journal | IOP Conference Series: Materials Science and Engineering |
Volume | 494 |
Issue number | 1 |
DOIs | |
Publication status | Published - 2019 Mar 29 |
Event | International Conference on Mechanical Engineering Research and Application 2018, ICOMERA 2018 - Malang, Indonesia Duration: 2018 Oct 23 → 2018 Oct 25 |
Keywords
- carbon nanotube
- electric field
- selectivity
- transfer
- water-alcohol
ASJC Scopus subject areas
- General Materials Science
- General Engineering