Nanotube-Confined Liquids: Water and Methanol
説明
Molecular dynamics simulations are performed to probe how hydrogen-bonded liquid molecules rearrange themselves inside uncapped carbon nanotubes (CNTs) immersed in a liquid reservoir under ordinary ambient conditions. The behavior of methanol molecules is focused on, and compared with that of water molecules. For CNTs having a diameter below about 1 nm, an unusual rearrangement of molecules is sensitively responsive to the CNT diameter for both liquids. We find striking similarities in molecular rearrangement between the two liquids (single-file molecular chains) and remarkable differences (a single-layer 'water tube' and a methanol 'biwire') stemming from the coexistence of hydrophobic and hydrophilic groups in the methanol molecule.
収録刊行物
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- Proceedings of the 12th Asia Pacific Physics Conference (APPC12)
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Proceedings of the 12th Asia Pacific Physics Conference (APPC12) 2014-03-19
Journal of the Physical Society of Japan