Transport behavior of water molecules through two-dimensional nanopores

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	Transport behavior of water molecules through two-dimensional nanopores
	Zhu, CQ ; Li, H ; Meng, S
刊名	JOURNAL OF CHEMICAL PHYSICS
	2014
卷号	141 期号:18
ISSN号	0021-9606
通讯作者	Zhu, CQ (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.
中文摘要	Water transport through a two-dimensional nanoporous membrane has attracted increasing attention in recent years thanks to great demands in water purification and desalination applications. However, few studies have been reported on the microscopic mechanisms of water transport through structured nanopores, especially at the atomistic scale. Here we investigate the microstructure of water flow through two-dimensional model graphene membrane containing a variety of nanopores of different size by using molecular dynamics simulations. Our results clearly indicate that the continuum flow transits to discrete molecular flow patterns with decreasing pore sizes. While for pores with a diameter >= 15 angstrom water flux exhibits a linear dependence on the pore area, a nonlinear relationship between water flux and pore area has been identified for smaller pores. We attribute this deviation from linear behavior to the presence of discrete water flow, which is strongly influenced by the water-membrane interaction and hydrogen bonding between water molecules. (C) 2014 AIP Publishing LLC.
资助信息	NSFC [11474328, 11290164, 11222431]; water project of CAS; MOST [2012CB921403]
语种	英语
公开日期	2015-04-14
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/59175]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Zhu, CQ,Li, H,Meng, S. Transport behavior of water molecules through two-dimensional nanopores[J]. JOURNAL OF CHEMICAL PHYSICS,2014,141(18).
APA	Zhu, CQ,Li, H,&Meng, S.(2014).Transport behavior of water molecules through two-dimensional nanopores.JOURNAL OF CHEMICAL PHYSICS,141(18).
MLA	Zhu, CQ,et al."Transport behavior of water molecules through two-dimensional nanopores".JOURNAL OF CHEMICAL PHYSICS 141.18(2014).