Dynamics of Evaporation from Confined Water in an SWCNT in the Presence of an External Field

doi:10.1021/acs.jpcc.5b11040

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	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
ISSN	1932-7447
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
DOI	10.1021/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.
推荐引用方式 GB/T 7714	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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