شماره ركورد كنفرانس :
4518
عنوان مقاله :
Modeling of Methane Adsorption in Carbon Nanotubes by Molecular Dynamics Simulation
Author/Authors :
M. Sadraei Department of Mechanical Engineering, Shahid Bahonar University of Kerman, Iran , M. Rahnama Department of Mechanical Engineering, Shahid Bahonar University of Kerman, Iran , A. M. Rashidi Nanotechnology Research Center, Research Institute of Petroleum Industry (RIPI), Tehran, Iran , S. H. Mansouri Department of Mechanical Engineering, Shahid Bahonar University of Kerman, Iran
كليدواژه :
Carbon Nanotubes (CNTs) , Molecular Dynamics , Methane Adsorption and van der Waals Gap
عنوان كنفرانس :
The 7th International Chemical Engineering Congress & Exhibition (IChEC 2011
چكيده لاتين :
Adsorbed natural gas (ANG) storage and transportation technology has recently become
competitive to compressed natural gas (CNG) method. New adsorbents such as carbon nanotubes
used in noncylindrical vessels have made possible to store the same capacity of gas as CNG tanks,
but at much lower pressures. To modify the amount of adsorption, optimization of these porous
materials is needed. The study of nanoscopic transport processes requires a molecular point of
view and preferably the application of molecular dynamics (MD) simulation. So the excess
gravimetric adsorption (EGA) of methane on triangular arrays of single-walled carbon nanotubes
(SWNTs) consisting of (13,0), (26,0), (42,0) arrays was investigated by MD method. For every
zigzag SWNT array above, the van der Waals (VDW) gap has been varied to optimize methane
storage. Results indicate that the (26,0) SWNT arrays with a VDW gap of 0.85 nm is the optimal
adsorbent for methane storage at room temperature
