| 氢气在不同结构单壁碳纳米管束中的吸附 |
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| 引用本文： | 张超,鲁雪生,顾安忠.氢气在不同结构单壁碳纳米管束中的吸附[J].化工学报,2004,55(6):974-979. |
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| 作者姓名： | 张超 鲁雪生 顾安忠 |
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| 作者单位： | 上海交通大学制冷与低温工程研究所,上海,200030;上海交通大学制冷与低温工程研究所,上海,200030;上海交通大学制冷与低温工程研究所,上海,200030 |
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| 基金项目： | 上海市科学技术发展基金项目 (No 0 116nm0 44 )~~ |
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| 摘 要： | 用巨正则系综蒙特卡罗（GCMC）的方法进行了氢气在两种不同结构单壁碳纳米管束（正四边形和正三边形）中吸附的研究，模拟了三种不同温度下（77 K、133 K及298 K）的吸附等温线，对两种不同结构单壁碳纳米管束吸附储氢性能进行了对比.从势能场分布的角度分析了这两种不同结构碳纳米管束产生吸附性能差异的原因，讨论了不同管径和不同管间距的势能场分布以及对吸附性能的影响.分析认为：管间距的大小是产生势能场分布差异的主要原因，也是导致不同结构碳纳米管束吸附性能差异的主要因素.
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| 关 键 词： | 巨正则系综蒙特卡罗 吸附储氢 单壁碳纳米管 势能场分布 |
| 文章编号： | 0438-1157(2004)06-0974-06 |
| 收稿时间： | 2003-3-5 |
| 修稿时间： | 2003-6-8
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ADSORPTION OF HYDROGEN IN DIFFERENT STRUCTURAL SINGLE-WALLED CARBON NANOTUBE ARRAYS |
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| ZHANG Chao,LU Xuesheng,GU Anzhong.ADSORPTION OF HYDROGEN IN DIFFERENT STRUCTURAL SINGLE-WALLED CARBON NANOTUBE ARRAYS[J].Journal of Chemical Industry and Engineering(China),2004,55(6):974-979. |
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| Authors: | ZHANG Chao LU Xuesheng GU Anzhong |
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| Abstract: | The adsorption of hydrogen in square and triangular single walled carbon nanotube arrays was studied with grand canonical ensemble Monte Carlo method The adsorption isotherm was simulated at 77 K , 133 K and 298 K, and the ability of hydrogen adsorption storage in two different structural SWNTA was compared The reason for the difference in adsorption ability of the two SWNTA was analyzed according to potential field distribution, and the potential field distribution of different tube diameters and different inter tube spacings and the effect of potential field distribution on adsorption ability were discussed.The inter tube spacing is the key factor inducing the difference of potential field distribution and adsorption ability of different structural nanotube arrays. |
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| Keywords: | grand canonical ensemble Monte Carlo hydrogen adsorption storage single-walled carbon nanotube potential field distribution |
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