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
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

The Properties of Hydrogen Physisorbed in Multi Walled Carbon Nantubes

doi: 10.1088/1674-0068/17/5/572-576
  • Received Date: 2003-07-15
  • 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.
  • 加载中
  • 加载中
通讯作者: 陈斌, bchen63@163.com
  • 1. 

    沈阳化工大学材料科学与工程学院 沈阳 110142

  1. 本站搜索
  2. 百度学术搜索
  3. 万方数据库搜索
  4. CNKI搜索

Article Metrics

Article views(1236) PDF downloads(1606) Cited by()

Proportional views
Related

The Properties of Hydrogen Physisorbed in Multi Walled Carbon Nantubes

doi: 10.1088/1674-0068/17/5/572-576

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.

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
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

Catalog

    /

    DownLoad:  Full-Size Img  PowerPoint
    Return
    Return