抄録
We have studied the competitive entry of potassium and sodium into carbon nanotubes using molecular dynamics simulations. Our results demonstrate how a combination of strong sodium hydration coupled with strong potassium-chlorine interaction leads to enhanced potassium selectivity at certain diameters. We detail the reasons behind this, and show how variation of nanotube diameter can cause a switch to sodium selectivity, or even cause a decrease in overall ion entry despite an increase in diameter. These results demonstrate the importance of considering inter-ion dependence in the theoretical study of pore selectivity and show that, with careful design, the practical separation of sodium and potassium is possible using diameter variation alone.
本文言語 | 英語 |
---|---|
ページ(範囲) | 12252-12256 |
ページ数 | 5 |
ジャーナル | Journal of Physical Chemistry B |
巻 | 114 |
号 | 38 |
DOI | |
出版ステータス | 出版済み - 9月 30 2010 |
外部発表 | はい |
!!!All Science Journal Classification (ASJC) codes
- 物理化学および理論化学
- 表面、皮膜および薄膜
- 材料化学