Transport diffusion in deformed carbon nanotubes

Jiamei Feng, Peirong Chen, Dongqin Zheng and Weirong Zhong

Physica A: Statistical Mechanics and its Applications, 2018, vol. 493, issue C, 155-161

Abstract: Using non-equilibrium molecular dynamics and Monte Carlo methods, we have studied the transport diffusion of gas in deformed carbon nanotubes. Perfect carbon nanotube and various deformed carbon nanotubes are modeled as transport channels. It is found that the transport diffusion coefficient of gas does not change in twisted carbon nanotubes, but changes in XY-distortion, Z-distortion and local defect carbon nanotubes comparing with that of the perfect carbon nanotube. Furthermore, the change of transport diffusion coefficient is found to be associated with the deformation factor. The relationship between transport diffusion coefficient and temperature is also discussed in this paper. Our results may contribute to understanding the mechanism of molecular transport in nano-channel.

Keywords: Transport diffusion; Deformed carbon nanotubes; Fick’s law; Non-equilibrium dynamics (search for similar items in EconPapers)
Date: 2018
References: View complete reference list from CitEc
Citations: View citations in EconPapers (2)

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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:493:y:2018:i:c:p:155-161

DOI: 10.1016/j.physa.2017.10.014

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