Hydrogen transport in a single-walled carbon nanotube by molecular dynamics simulation

Kyung Su Oh; Seungho Park; Ohmyoung Kwon; Young Ki Choi; Joon Sik Lee

doi:10.1115/HT2007-32538

Hydrogen transport in a single-walled carbon nanotube by molecular dynamics simulation

Kyung Su Oh, Seungho Park, Ohmyoung Kwon, Young Ki Choi, Joon Sik Lee

School of Mechanical Engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

Carbon nanotubes have been strongly considered as promising hydrogen storage materials. In this paper, hydrogen transport mechanisms in single-walled carbon nano-tubes (SWNTs) for various temperatures and chiral indices were studied using molecular dynamics simulation. The SWNT models of zigzag (10,0), chiral (10,5) and armchair (10,10) with hydrogen molecules inside were simulated at temperatures ranging from 253K to 373K. Movements of hydrogen molecules (H₂) inside a SWNT were analyzed using meansquare displacements and velocity autocorrelation functions.

Original language	English
Title of host publication	2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007
Pages	33-38
Number of pages	6
DOIs	https://doi.org/10.1115/HT2007-32538
Publication status	Published - 2007
Event	2007 ASME/JSME Thermal Engineering Summer Heat Transfer Conference, HT 2007 - Vancouver, BC, Canada Duration: 2007 Jul 8 → 2007 Jul 12

Publication series

Name	2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007
Volume	1

Other

Other	2007 ASME/JSME Thermal Engineering Summer Heat Transfer Conference, HT 2007
Country/Territory	Canada
City	Vancouver, BC
Period	07/7/8 → 07/7/12

ASJC Scopus subject areas

Electrical and Electronic Engineering
Mechanical Engineering
Condensed Matter Physics

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10.1115/HT2007-32538

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Oh, K. S., Park, S., Kwon, O., Choi, Y. K., & Lee, J. S. (2007). Hydrogen transport in a single-walled carbon nanotube by molecular dynamics simulation. In 2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007 (pp. 33-38). (2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007; Vol. 1). https://doi.org/10.1115/HT2007-32538

Hydrogen transport in a single-walled carbon nanotube by molecular dynamics simulation. / Oh, Kyung Su; Park, Seungho; Kwon, Ohmyoung et al.

2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007. 2007. p. 33-38 (2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007; Vol. 1).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Oh, KS, Park, S, Kwon, O, Choi, YK & Lee, JS 2007, Hydrogen transport in a single-walled carbon nanotube by molecular dynamics simulation. in 2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007. 2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007, vol. 1, pp. 33-38, 2007 ASME/JSME Thermal Engineering Summer Heat Transfer Conference, HT 2007, Vancouver, BC, Canada, 07/7/8. https://doi.org/10.1115/HT2007-32538

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Hydrogen transport in a single-walled carbon nanotube by molecular dynamics simulation

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