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.
|ジャーナル||IOP Conference Series: Materials Science and Engineering|
|出版物ステータス||Published - 2019 3 29|
|イベント||International Conference on Mechanical Engineering Research and Application 2018, ICOMERA 2018 - Malang, Indonesia|
継続期間: 2018 10 23 → 2018 10 25
ASJC Scopus subject areas
- Materials Science(all)