Article ID Journal Published Year Pages File Type
6877752 Journal of Molecular Graphics and Modelling 2013 11 Pages PDF
Abstract

- A relation is suggested to predict the density of water confined inside SWSiCNTs.
- Diffusion mechanism of confined water in SWSiCNTs is changed by nanotube diameter.
- RDF profiles of water confined in SWSiCNTs vs. of nanotube diameter are shown.
- Hydrogen bonding in water confined in SWSiCNTs is less than what in SWCNTs.
- Water molecules permeate faster in SWSiCNTs from that in other types of nanotubes.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Molecular dynamics simulation of single-walled silicon carbide nanotubes immersed in water
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