Molecular Dynamics Simulation of the Flow Behavior of Water Through Nanopipes
文献类型：期刊论文
| 作者 | Rao Huan1; Yang Wen-Hong1; Wang Si-Miao1; Kong Bin1; Liu Wen-Zhi2; Li Xiao-Xia2; Yang Xiao-Zhen1 |
| 刊名 | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
 |
| 出版日期 | 2012-12-10 |
| 卷号 | 33期号:12页码:2727-2733 |
| ISSN号 | 0251-0790 |
| 关键词 | Molecular dynamics simulation Nanopipe Flow behavior Hagen-Poiseuille equation End effect |
| 其他题名 | Chem. J. Chin. Univ.-Chin. |
| 中文摘要 | 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. |
| 英文摘要 | 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. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | CARBON NANOTUBES ; ICE-NANOTUBES ; TRANSPORT ; MEMBRANES ; ULTRAFILTRATION ; DIFFUSION ; NANOPORES ; CHANNEL ; END |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000313544300023 |
| 公开日期 | 2013-11-28 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/6397]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：过程工程研究所
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