Mechanisms of Hydrogen Transport in Flexible-Wall Narrow Carbon Nanotubes
| Autor: | I-Peng Chu, Bin-Hao Chen, Chieh Kung |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Materials science
Article Subject Hydrogen chemistry.chemical_element Nanotechnology Carbon nanotube Fick's laws of diffusion law.invention Hydrogen storage Molecular dynamics symbols.namesake chemistry Chemical physics law lcsh:Technology (General) symbols lcsh:T1-995 General Materials Science Ballistic conduction in single-walled carbon nanotubes Knudsen number Rayleigh scattering |
| Zdroj: | Journal of Nanomaterials, Vol 2015 (2015) |
| ISSN: | 1687-4129 1687-4110 |
| DOI: | 10.1155/2015/959402 |
| Popis: | Understanding the interaction between hydrogen and carbon nanotubes is crucial to enhancing the performance of hydrogen storage and nanofluidic carbon-adsorbent systems. Accordingly, this study performs a series of molecular dynamics simulations to investigate the transport properties of hydrogen molecules confined within a flexible narrow carbon nanotube. The tube’s diameter is 10.8 Å at temperatures in the range of 100~800 K. The particle loadings inside carbon nanotubes are ranging from 0.01∼1 No/Å. The results show that the hydrogen molecules exhibit three distinct diffusion regimes, namely, single-file, Fickian, and ballistic, depending on the value of the Knudsen number. In addition, it is shown that with the Knudsen number of less than 1, the tube-wall long wavelength acoustic phonons induced Rayleigh traveling wave prompts a longitudinal wave slip and compression-expansion of the hydrogen molecule crowds within the CNT, which leads to a significant increase in the mean square displacement of the molecules. |
| Databáze: | OpenAIRE |
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