Dynamics of Evaporation from Confined Water in an SWCNT in the Presence of an External Field
Li, JX; Li, WF; Fang, HP; Zhang, JW; Zhang, JW (reprint author), Tongji Univ, Shanghai Key Lab Special Artificial Microstruct, Sch Phys Sci & Engn, Shanghai 200092, Peoples R China.
2016
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
卷号120期号:12页码:6493—6501
文章类型期刊文献
摘要The dynamics of evaporation of water molecules from a single-walled carbon nanotube were investigated by molecular dynamics simulations. A single barrier macro-statistical model was proposed to account for the interactions between water molecules and the single-walled carbon nanotube. Besides, the study found that the cumulative probability of water escaping from the nanotube exhibits the Maxwell-Boltzmann distribution, and thus the energy barrier for water spillage from the carbon tube could be evaluated. Meanwhile, on the basis of our quantitative analysis, the blocking temperature for typical measure time and the specified escape barrier could thereby be found. Furthermore, through the statistical analysis, several interesting phenomena could be found in the dynamical processes of water confined in the nanotubes. The procedure to extract barrier information may be useful for the analysis of experiments on water transport within confined systems.
关键词Walled Carbon Nanotubes Transport Kinetics Desalination Simulations Transition Nanopipes Channel Model Flow
DOI10.1021/acs.jpcc.5b11040
收录类别SCI
语种英语
WOS记录号WOS:000373416500024
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/25692
专题中科院上海应用物理研究所2011-2018年
通讯作者Zhang, JW (reprint author), Tongji Univ, Shanghai Key Lab Special Artificial Microstruct, Sch Phys Sci & Engn, Shanghai 200092, Peoples R China.
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Li, JX,Li, WF,Fang, HP,et al. Dynamics of Evaporation from Confined Water in an SWCNT in the Presence of an External Field[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2016,120(12):6493—6501.
APA Li, JX,Li, WF,Fang, HP,Zhang, JW,&Zhang, JW .(2016).Dynamics of Evaporation from Confined Water in an SWCNT in the Presence of an External Field.JOURNAL OF PHYSICAL CHEMISTRY C,120(12),6493—6501.
MLA Li, JX,et al."Dynamics of Evaporation from Confined Water in an SWCNT in the Presence of an External Field".JOURNAL OF PHYSICAL CHEMISTRY C 120.12(2016):6493—6501.
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