Competitive entry of sodium and potassium into nanoscale pores

James J. Cannon, Dai Tang, Nahmkeon Hur, Daejoong Kim

研究成果: Contribution to journalArticle

17 被引用数 (Scopus)

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
114
38
DOI
出版ステータス出版済み - 9 30 2010
外部発表はい

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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