在将单壁纳米碳管当作巨正则系综的基础上,定义了两个序参量,对其储氢机制作了研究。认为纳米碳管之所以能大量储氢的原因是由于解离的氢分子、原子之间形成关联的相互作用会导致中空管内压力下降,气体凝聚成液体状态,储氢增加。
On the basis of the fact that single-wall nanotube in the ambience of hydrogen is considered grand canonical assemblage , two order parameters are defined and a theory of hydrogen-storage mechanism is proposed. The authors suggest that the reasons for the large hydrogen-storage capacity of the nanotube can be ascribed to the following aspects: decomposition of hydrogen may enhance the pressure, the correlated interaction between hydrogen molecules and atoms will give rise to the decompression, resulting in the condensation of the gas and the increase of the hydrogen storage as well.
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