A molecular dynamics study on the absorption of ions into carbon nanotubes

James J. Cannon, Dai Tang, Daejoong Kim

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The ability of ions to be selectively absorbed into nanopores is important for a wide range of industrial and biological processes. To make practical use of such ionic selectivity, a molecular-level understanding of the dynamics is required, so that conditions can be tailored and optimised as required. This is especially the case when the ions being separated are very similar. We have therefore conducted molecular dynamics simulations in order to study the selective absorption of sodium and potassium ions into a nano-scale pore. We show how ion hydration and the presence of a negative ion lead to alternative selectivity depending on the size of the pore.

Original languageEnglish
Title of host publicationASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting, ICNMM2010
Pages999-1002
Number of pages4
EditionPARTS A AND B
DOIs
Publication statusPublished - Dec 1 2010
Externally publishedYes
EventASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM2010 Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting - Montreal, QC, Canada
Duration: Aug 1 2010Aug 5 2010

Publication series

NameASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting, ICNMM2010
NumberPARTS A AND B

Other

OtherASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM2010 Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting
CountryCanada
CityMontreal, QC
Period8/1/108/5/10

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All Science Journal Classification (ASJC) codes

  • Fluid Flow and Transfer Processes

Cite this

Cannon, J. J., Tang, D., & Kim, D. (2010). A molecular dynamics study on the absorption of ions into carbon nanotubes. In ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting, ICNMM2010 (PARTS A AND B ed., pp. 999-1002). (ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting, ICNMM2010; No. PARTS A AND B). https://doi.org/10.1115/FEDSM-ICNMM2010-30579