ICCAS OpenIR
Effects of charge distribution on water filling process in carbon nanotube
Meng LingYi1,2; Li QiKai1,2; Shuai ZhiGang1,2,3
2009-02-01
Source PublicationSCIENCE IN CHINA SERIES B-CHEMISTRY
ISSN1006-9291
Volume52Issue:2Pages:137-143
AbstractUsing umbrella sampling technique with molecular dynamics simulation, we investigated the nanofluidic transport of water in carbon nanotube (CNT). The simulations showed that a positive charge modification to the carbon nanotube can slow down the water column growth process, while the negative charge modification to the carbon nanotube will, on the other hand, quicken the water column growth process. The free energy curves were obtained through the statistical process of water column growth under different charge distributions, and the results indicated that these free energy curves can be employed to explain the dynamical process of water column growth in the nanosized channels.
KeywordNanotube Micro/nanofluidic Molecular Dynamics
DOI10.1007/s11426-009-0016-0
Indexed BySCI
Language英语
WOS IDWOS:000263260900003
PublisherSCIENCE PRESS
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/68012
Collection中国科学院化学研究所
Corresponding AuthorLi QiKai
Affiliation1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Key Lab Organ Solids, Inst Chem, Beijing 100190, Peoples R China
3.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China
Recommended Citation
GB/T 7714
Meng LingYi,Li QiKai,Shuai ZhiGang. Effects of charge distribution on water filling process in carbon nanotube[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2009,52(2):137-143.
APA Meng LingYi,Li QiKai,&Shuai ZhiGang.(2009).Effects of charge distribution on water filling process in carbon nanotube.SCIENCE IN CHINA SERIES B-CHEMISTRY,52(2),137-143.
MLA Meng LingYi,et al."Effects of charge distribution on water filling process in carbon nanotube".SCIENCE IN CHINA SERIES B-CHEMISTRY 52.2(2009):137-143.
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