Mechanisms of Hydrogen Transport in Flexible-Wall Narrow Carbon NanotubesReport as inadecuate




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Journal of Nanomaterials - Volume 2015 2015, Article ID 959402, 10 pages -

Research Article

Department of Energy Application Engineering, Far East University, No. 49, Zhonghua Road, Xinshi District, Tainan City 74448, Taiwan

Department of Industrial Design, Far East University, No. 49, Zhonghua Road, Xinshi District, Tainan City 74448, Taiwan

Department of Mechanical Engineering, Far East University, No. 49, Zhonghua Road, Xinshi District, Tainan City 74448, Taiwan

Received 29 April 2014; Revised 9 July 2014; Accepted 12 August 2014

Academic Editor: Xi-Qiao Feng

Copyright © 2015 Bin-Hao Chen et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

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.





Author: Bin-Hao Chen, Chieh Kung, and I-Peng Chu

Source: https://www.hindawi.com/



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