| H2的自由扩散和吸附状态的对比研究 |
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| 引用本文： | 戴伟,肖明,李志浩,唐永建.H2的自由扩散和吸附状态的对比研究[J].物理学报,2012,61(1):16801-016801. |
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| 作者姓名： | 戴伟 肖明 李志浩 唐永建 |
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| 作者单位： | 1. 湖北第二师范学院物理与电子信息学院, 武汉 430205;2. 中国工程物理研究院激光聚变研究中心, 绵阳 621900;3. 中国科学院武汉物理与数学研究所, 武汉 430071 |
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| 基金项目： | 湖北省教育厅科学技术研究项目(批准号: B20113002)和湖北第二师范学院重点学科建设经费资助的课题. |
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| 摘 要： | 运用巨正则Monte Carlo方法, 模拟了H2在自由扩散状态下及碳纳米管吸附状态下的分布, 对H2的自由扩散和吸附状态进行了对比研究. 研究表明: 77 K和2 MPa下, (30, 30)扶手椅型碳纳米管质量储氢密度为3.74%, 77 K和10 MPa下, 质量储氢密度为7.4%. 吸附状态的H2分子主要汇聚在碳纳米管内外两个壁面.
关键词：
储氢
碳纳米管
巨正则Monte Carlo
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| 关 键 词： | 储氢 碳纳米管 巨正则Monte Carlo |
| 收稿时间： | 2010-10-10 |
Comparison research for free diffusion and absorption status of H2 |
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| Dai Wei,Xiao Ming,Li Zhi-Hao and Tang Yong-Jian.Comparison research for free diffusion and absorption status of H2[J].Acta Physica Sinica,2012,61(1):16801-016801. |
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| Authors: | Dai Wei Xiao Ming Li Zhi-Hao and Tang Yong-Jian |
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| Institution: | Department of Physics and Electronics, Hubei University of Education, Wuhan 430205, China;Research Centre of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900, China;Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences;Department of Physics and Electronics, Hubei University of Education, Wuhan 430205, China;Department of Physics and Electronics, Hubei University of Education, Wuhan 430205, China;Research Centre of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900, China |
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| Abstract: | The Monte Carlo method of grand canonical ensemble is used to simulate the adsorption process of hydrogen storage in carbon nanotube. Results show that the hydrogen storage capacity of (30,30) armchair carbon nanotubes is 3.74 wt% at 77 K and 2 MPa and at 77 K 7.4 wt% and 10 MPa. H2 molecules are distributed mainly at the surface of carbon nanotube. |
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| Keywords: | hydrogen storage carbon nanotube Monte Carlo of a grand canonical ensemble |
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