Mechanisms of Hydrogen Transport in Flexible-Wall Narrow Carbon Nanotubes

Figure 3

Sequence of simulation snapshots. Sequence of simulation snapshots obtained for 50 hydrogen molecules confined within SWCNT at 500 K. The results show the formation of two neighboring molecule crowds which subsequently interact with each other via a compression-relaxation process. Note that the inset shows the tube-wall and diffuser axial vibration displacements at 500 K; load density = 10 molecules/nm. According to the results, both the radial vibration displacements of hydrogen and tube wall present a resonance profile and the radial breathing mode is the most relevant effect in current case.