Characteristics of Hydrogen Storage and Fluid Behavior Inside Carbon Nanotube Using Molecular Dynamics

• Main Authors: Yung-Ta Li, 李泳達
• Other Authors: Yeau-Ren Jeng
• Format: Others
• Language: zh-TW
• Published: 2004
• Online Access: http://ndltd.ncl.edu.tw/handle/78878156022947175712

碩士 === 國立中正大學 === 機械系 === 92 === This study investigates the capability of adsorbing hydrogen and hydrogen flowing inside single-walled carbon nanotubes (SWCNT), coiled SWCNT and SWCNT arrays by molecular dynamics simulation. Lennard-Jones potential is used for hydrogen-hydrogen and hydrogen-carbon respectively, then Tersoff potential is used for carbon-carbon. The results show that the amount of the hydrogen adsorption decreased as the temperature and van der Waals interactive distance of the SWCNT arrays were increased. The effect of velocity on behavior of the flowing hydrogen atoms inside SWCNT was also discussed. Furthermore it is found that when the flow velocity of reached 1.0 Å/fs, the flowing hydrogen atoms become stable inside the Chiral type of the SWCNT.