Physisorption of Hydrogen on Microporous Carbon and Carbon Nanotubes
Physisorption of Hydrogen on Microporous Carbon and Carbon Nanotubes
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DOI：
10.1021/jp9829602
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发表时间：
1998-12
影响因子：
3.3
通讯作者：
M. Rzepka;P. Lamp;M. A. D. L. Casa-Lillo
中科院分区：
文献类型：
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作者：
M. Rzepka;P. Lamp;M. A. D. L. Casa-Lillo
本文从理论和实验两个方面研究了微孔炭材料对气态氢的储存能力。在巨正则蒙特卡罗计算中，氢分子通过与碳缝孔和碳纳米管表面原子的货车德瓦耳斯相互作用而被物理吸附。在室温下，最佳的孔几何形状是由两个石墨片组成的狭缝，所述两个石墨片分开的距离对应于大约两倍的氢分子直径。在这种情况下，对于10 MPa的储存压力，可以达到14 kg/m3的最大吸附氢密度，这对应于1.3重量%的重量储存容量。只有在低气压下，像碳纳米管那样的圆柱形几何结构才能由于毛细力而超过碳狭缝的存储密度。
We have investigated the storage capability of microporous carbon materials for gaseous hydrogen both theoretically and experimentally. In the grand canonical Monte Carlo calculation the hydrogen molecules are physisorbed by van der Waals interactions with the surface atoms of carbon slitpores and carbon nanotubes. At room temperature the optimum pore geometry is a slitpore consisting of two graphite platelets separated by a distance that corresponds approximately to two times the diameter of a hydrogen molecule. In this case for a storage pressure of 10 MPa a maximum adsorbed hydrogen density of 14 kg/m3 can be reached, which corresponds to a gravimetric storage capacity of 1.3 wt %. Only for low gas pressure a cylindrical geometry like that in carbon nanotubes can exceed the storage density of carbon slitpores owing to capillary forces.