The density of water in carbon nanotubes
Research output: Contribution to journal › Article › peer-review
Authors
Colleges, School and Institutes
External organisations
- University of Cyprus
Abstract
In this paper, the density of water confined in carbon nanotubes of different sizes and chirality is calculated. Molecular dynamics is used to simulate the spontaneous filling of the nanotube with water molecules coming from an external bath. Three H2 O filling modes are found and a correlation, which relates the density with the nanotube diameter, is proposed.
Details
| Original language | English |
|---|---|
| Pages (from-to) | 2047-2056 |
| Number of pages | 10 |
| Journal | Chemical Engineering Science |
| Volume | 63 |
| Issue number | 8 |
| Publication status | Published - Apr 2008 |
Keywords
- Carbon nanotubes, Confined water, Molecular dynamics