The Properties of Hydrogen Physisorbed in Multi Walled Carbon Nantubes
- Received Date: 2003-07-15
- Multi-walled carbon nanotube, Hydrogen storage, Physisorption, Grand canonical ensemble, Monte Carlo simulation /
Abstract: The physisorption of hydrogen stored in armchair multi-walled carbon nanotubes (MWCNTs) is simulated by the grand canonical Monte Carlo (GCMC) method on the condition of 10 MPa at normalt emperature. Hydrogen-hydrogen and hydrogen-carbon interactions are both modeled with Lennard-Jones potential. The hydrogen storage in double-walled carbon-nanotubes (DWCNTs) has been investigated on the condition that the internal or external radius is changed while the other radius remains constant. The results show that hydrogen molecules are mostly absorbed near the tube walls, and the hydrogens to rage capacityisim proved effectively when the difference between the internal radius and the external radius increases from 0.34 to 0.61 or 0.88 nm. Its simple theoretic explanation also is given. Further more, the capacity of hydrogen physisorbed in there-walled carbon nanotubes (TWCNTs) is calculated when the wall-wall distance is 0.34, 0.61 and 0.88 nm respectively. Then its hydrogen storage capacity is compared with that of single-walled carbon nanotubes (SWCNTs) and DWCNTs, and it is discovered that the capacity of hydrogen physisorbed in MWCNTs decreases as the number of wall increases.
|Citation:||Zhao Li, Cheng Jinrong, Huang Decaia, Yuan Xinghong, Zhang Libo, Tang Ruihua. The Properties of Hydrogen Physisorbed in Multi Walled Carbon Nantubes[J]. Chinese Journal of Chemical Physics , 2004, 17(5): 572-576. doi: 10.1088/1674-0068/17/5/572-576|