MOLECULAR SIMULATION OF HYDROGEN ADSORPTION IN ALUMINUM ORGANIC FRAMEWORK
文献类型：期刊论文
| 作者 | Dai, Wei1,2; Li, Rui1; Jin, Haiqin1; Wang, Shifang1 |
| 刊名 | MODERN PHYSICS LETTERS B
 |
| 出版日期 | 2013-05-30 |
| 卷号 | 27期号:13 |
| 关键词 | Aluminum organic framework storage of hydrogen adsorption isotherm grand canonical Monte Carlo |
| 英文摘要 | With the aid of molecular simulations, a new aluminum organic framework structure is designed, and the hydrogen storage capability of the designed structure is studied using grand canonical Monte Carlo technique. Results show that the hydrogen storage capacity of aluminum organic framework at 77 K and 1 MPa is about 430 hydrogen molecules per unit cell, the corresponding weight density be equivalent to 17.45 wt.%. The preferential adsorption site is located at the aluminum-oxygen cluster. Hydrogen molecules are preferentially distributed on the surface of Al ions. The complexation of organic linkers with Al ions is found to be in favor of the adsorption of hydrogen. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Physics, Applied ; Physics, Condensed Matter ; Physics, Mathematical |
| 研究领域[WOS] | Physics |
| 关键词[WOS] | STATISTICAL CALCULATION ; CARBON-DIOXIDE ; GAS-ADSORPTION ; STORAGE ; SILICALITE ; METHANE ; DESIGN |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000318791000008 |
| 公开日期 | 2015-07-14 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/835]  |
| 专题 | 武汉物理与数学研究所_理论与交叉研究部 |
| 作者单位 | 1.Hubei Univ Educ, Dept Phys & Elect, Wuhan 430205, Peoples R China 2.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan 430071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Dai, Wei,Li, Rui,Jin, Haiqin,et al. MOLECULAR SIMULATION OF HYDROGEN ADSORPTION IN ALUMINUM ORGANIC FRAMEWORK[J]. MODERN PHYSICS LETTERS B,2013,27(13). |
| APA | Dai, Wei,Li, Rui,Jin, Haiqin,&Wang, Shifang.(2013).MOLECULAR SIMULATION OF HYDROGEN ADSORPTION IN ALUMINUM ORGANIC FRAMEWORK.MODERN PHYSICS LETTERS B,27(13). |
| MLA | Dai, Wei,et al."MOLECULAR SIMULATION OF HYDROGEN ADSORPTION IN ALUMINUM ORGANIC FRAMEWORK".MODERN PHYSICS LETTERS B 27.13(2013). |
入库方式： OAI收割
来源：武汉物理与数学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。