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Computer simulation for storage of methane and capture of carbon dioxide in carbon nanoscrolls by expansion of interlayer spacing
Peng, XA; Zhou J(周靖); Zhou, J; Wang, WC; Cao, DP
2010
发表期刊CARBON
卷号48期号:13页码:3760-3768
通讯作者[Peng, Xuan] Beijing Univ Chem Technol, Coll Informat Sci & Technol, Beijing 100029, Peoples R China ; [Peng, Xuan] Chinese Acad Sci, Guangzhou Ctr Gas Hydrate Res, Guangzhou 510640, Peoples R China ; [Zhou, Jing] Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China ; [Wang, Wenchuan ; Cao, Dapeng] Beijing Univ Chem Technol, Key Lab Nanomat, Minist Educ, Div Mol & Mat Simulat, Beijing 100029, Peoples R China
文章类型Article
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. (C) 2010 Elsevier Ltd. All rights reserved.
学科领域Chemistry; Materials Science
研究领域[WOS]Chemistry ; Materials Science ; Chemistry ; Materials Science
DOI10.1016/j.carbon.2010.06.038
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语种英语
研究领域[WOS]Chemistry ; Materials Science ; Chemistry ; Materials Science
WOS类目Chemistry, Physical ; Materials Science, Multidisciplinary
WOS记录号WOS:000281190800013
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被引频次:42[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/239935
专题多学科研究中心
作者单位中国科学院高能物理研究所
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Peng, XA,Zhou J,Zhou, J,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):3760-3768.
APA Peng, XA,周靖,Zhou, J,Wang, WC,&Cao, DP.(2010).Computer simulation for storage of methane and capture of carbon dioxide in carbon nanoscrolls by expansion of interlayer spacing.CARBON,48(13),3760-3768.
MLA Peng, XA,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):3760-3768.
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