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Molecular Dynamics Simulation of the Flow Behavior of Water Through Nanopipes
Alternative TitleChem. J. Chin. Univ.-Chin.
Rao Huan1; Yang Wen-Hong1; Wang Si-Miao1; Kong Bin1; Liu Wen-Zhi2; Li Xiao-Xia2; Yang Xiao-Zhen1
2012-12-10
Source PublicationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN0251-0790
Volume33Issue:12Pages:2727-2733
AbstractMolecular dynamics was adopted to simulate the flow behavior of water through nanopores at atomistic level. Effects of the pressure difference, the diameter and the length of nanopipes to the flux of fluid were validated according to Hagen-Poiseuille(HP) equation with diameter of the nanopipe between 2 nm and 2.8 nm. Further investigation found that thereis the end effect to the flow behavior of fluid and the end effect depends on the nanopipe length and more significant for shorter nanopipes. In order to understand the flow behavior of real nanopores, we proposed four different nanopipe models possessing variational diameters along the pipe, which consists of two different diameter pipes and finally result in different fluxes. The behavior of fluid through the diameter variational nanopipes was elementarily discussed with a binary pipe model, which was put forward in the present study.; Molecular dynamics was adopted to simulate the flow behavior of water through nanopores at atomistic level. Effects of the pressure difference, the diameter and the length of nanopipes to the flux of fluid were validated according to Hagen-Poiseuille(HP) equation with diameter of the nanopipe between 2 nm and 2.8 nm. Further investigation found that thereis the end effect to the flow behavior of fluid and the end effect depends on the nanopipe length and more significant for shorter nanopipes. In order to understand the flow behavior of real nanopores, we proposed four different nanopipe models possessing variational diameters along the pipe, which consists of two different diameter pipes and finally result in different fluxes. The behavior of fluid through the diameter variational nanopipes was elementarily discussed with a binary pipe model, which was put forward in the present study.
KeywordMolecular Dynamics Simulation Nanopipe Flow Behavior Hagen-poiseuille Equation End Effect
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.7503/cjcu20120261
URL查看原文
Indexed BySCI
Language英语
WOS KeywordCARBON NANOTUBES ; ICE-NANOTUBES ; TRANSPORT ; MEMBRANES ; ULTRAFILTRATION ; DIFFUSION ; NANOPORES ; CHANNEL ; END
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000313544300023
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Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/6397
Collection研究所(批量导入)
Affiliation1.Chinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Rao Huan,Yang Wen-Hong,Wang Si-Miao,et al. Molecular Dynamics Simulation of the Flow Behavior of Water Through Nanopipes[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2012,33(12):2727-2733.
APA Rao Huan.,Yang Wen-Hong.,Wang Si-Miao.,Kong Bin.,Liu Wen-Zhi.,...&Yang Xiao-Zhen.(2012).Molecular Dynamics Simulation of the Flow Behavior of Water Through Nanopipes.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,33(12),2727-2733.
MLA Rao Huan,et al."Molecular Dynamics Simulation of the Flow Behavior of Water Through Nanopipes".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 33.12(2012):2727-2733.
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