International Journal of Safety

The Korean Society of Safety (한국안전학회)
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Simulation of Hydrogen Transport in a Single-walled Carbon Nanotube for Storage Safety

  • Oh, Kyung-Su (Korea Institute of Industrial Technology) ;
  • Kim, Dong-Hyun (Graduate School, Hongik University) ;
  • Park, Seung-Ho (Department of Mechanical & System Design Engineering, Hongik University) ;
  • Kim, Jung-Soo (Department of Mechanical & System Design Engineering, Hongik University)
  • Published : 2007.06.30
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Abstract

Carbon nanotubes hold much promise as future materials for safe storage of hydrogen. 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 method. 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 ($H_2$) inside a SWNT were analyzed using mean-square displacements and velocity autocorrelation functions.

Keywords

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