Computer simulation for storage of methane and capture of carbon dioxide in carbon nanoscrolls by expansion of interlayer spacing
文献类型：期刊论文
| 作者 | Peng, Xuan ; Zhou, Jing ; Wang, Wenchuan ; Cao, Dapeng |
| 刊名 | carbon
 |
| 出版日期 | 2010-11 |
| 卷号 | 48期号:13页码:9,3760-3768 |
| 关键词 | MONTE-CARLO-SIMULATION COVALENT ORGANIC FRAMEWORKS ACTIVATED CARBON HYDROGEN STORAGE GIBBS ENSEMBLE PORE-SIZE NANOSTRUCTURED CARBON MOLECULAR SIMULATION NANOTUBE ARRAYS SLIT PORES |
| ISSN号 | 0008-6223 |
| 通讯作者 | pengxuan@mail.buct.edu.cn |
| 中文摘要 | we perform a molecular simulation study on methane and carbon dioxide storage in carbon nanoscrolls. the effects of temperature and pressure, interlayer spacing, vdw gap and innermost radius on the gas storage have been examined extensively. it is found that the adsorption of gases on pristine carbon nanoscrolls is relatively low. however, once the interlayer spacing is expanded, both adsorption capacities of methane and carbon dioxide exhibit a significant improvement. in particular, the excess uptake of methane reaches 13 mmol/g at p = 6.0 mpa and t = 298.15 k and vdw gap delta = 1.1 nm, which is about 3.5 times of uptake of the pristine carbon nanoscrolls; while the uptake of carbon dioxide could also be raised by 294.9% at t = 298.15 k and p = 3.0 mpa and delta = 1.5 nm, reaching 30.21 mmol/g at 6.0 mpa. this work demonstrates that carbon nanoscrolls with an expansion of interlayer spacing may be a suitable material for methane storage and carbon dioxide capture. |
| 学科主题 | chemistry ; materials science |
| 收录类别 | SCI |
| 资助信息 | nsf of china [20806003, 20736002]; national scientific research funding [zd0901]; beijing university of chemical technology (buct); guangzhou center for gas hydrate research, chinese academy of sciences [cashyd0907s3] |
| 原文出处 | https://dx.doi.org/10.1016/j.carbon.2010.06.038 |
| 语种 | 英语 |
| 公开日期 | 2014-12-24 |
| 源URL | [http://ir.giec.ac.cn/handle/344007/8473]  |
| 专题 | 中国科学院广州能源研究所 |
| 推荐引用方式 GB/T 7714 | Peng, Xuan,Zhou, Jing,Wang, Wenchuan,et al. Computer simulation for storage of methane and capture of carbon dioxide in carbon nanoscrolls by expansion of interlayer spacing[J]. carbon,2010,48(13):9,3760-3768. |
| APA | Peng, Xuan,Zhou, Jing,Wang, Wenchuan,&Cao, Dapeng.(2010).Computer simulation for storage of methane and capture of carbon dioxide in carbon nanoscrolls by expansion of interlayer spacing.carbon,48(13),9,3760-3768. |
| MLA | Peng, Xuan,et al."Computer simulation for storage of methane and capture of carbon dioxide in carbon nanoscrolls by expansion of interlayer spacing".carbon 48.13(2010):9,3760-3768. |
入库方式： OAI收割
来源：广州能源研究所
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