A molecular dynamics simulation of air adsorption in single-walled carbon nanotube bundles
| Autor: | Margarita Albertí, Víctor Rojas Cervellera, Fermín Huarte-Larrañaga |
|---|---|
| Rok vydání: | 2008 |
| Předmět: |
Nanotube
Materials science Selective chemistry of single-walled nanotubes Nanotechnology Carbon nanotube Condensed Matter Physics Atomic and Molecular Physics and Optics law.invention Carbon nanotube quantum dot Optical properties of carbon nanotubes Molecular dynamics Adsorption Physisorption Chemical engineering law Physical and Theoretical Chemistry |
| Zdroj: | International Journal of Quantum Chemistry. 108:1714-1720 |
| ISSN: | 1097-461X 0020-7608 |
| DOI: | 10.1002/qua.21590 |
| Popis: | The physisorption of air in single-walled carbon nanotubes (SWNTs) is studied employing molecular dynamics. The effect of the nanotube diameter in the gas adsorption capacity of SWNT bundles has been investigated using (10,0), (15,0), and (20,0) SWNTs finding an increasing load capacity. The O2:N2 ratio in the nanotube bundles is analyzed in detail as well, comparing it to that in the gaseous bulk. The air contained in the carbon nanostructures has a larger content in O2 than the bulk air, thus providing a possible application of carbon nanotubes as molecular filters. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008 |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
| Nepřihlášeným uživatelům se plný text nezobrazuje | K zobrazení výsledku je třeba se přihlásit. |