Toward high permeability, selectivity and controllability of water desalination with FePc nanopores

doi:10.1039/c6cp00322b

	Toward high permeability, selectivity and controllability of water desalination with FePc nanopores
	Deng QM(邓庆明); Pan J(潘俊); Yin XH(尹晓蕙); Wang XF(王晓峰); Zhao LN(赵丽娜); Li JY(李敬源); Deng, QM; Pan, J; Yin, XH; Wang, XF
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2016
卷号	18 期号:11 页码:8140-8147
DOI	10.1039/c6cp00322b
通讯作者	赵丽娜 ; 李敬源
文献子类	期刊论文
英文摘要	Nanoporous materials exhibit promising potential in water transportation applications, especially in ocean water desalination. It is highly desired to have great permeability, selectivity and controllability in the desalination performance of these nanopores. However, it is still a challenge to achieve all three features in one material or device. Here, we demonstrate efficient and controllable water desalination with a nanoporous 2D Fe phthalocyanine (FePc) membrane using molecular dynamics simulations. We find the FePc membrane not only conducts fast water flow, but it also suppresses ion permeation. The selectivity is attributed to a mechanism distinct from the traditional steric exclusion: cations are excluded due to electrostatic repulsion, whereas anions can be trapped in the nanopore and induce the reorganization of ions in the vicinity of the nanopore, which in turn creates a tendency for the trapped anions to move back into the saline reservoir. More interestingly, we find such mechanism is largely due to the sufficiently strong electrostatic interaction of the charged nanopore region with ions and is not restricted to the FePc nanopore. In addition, the number of protonated nitrogen atoms in FePc pores can be modulated by adjusting the pH value of the solution. The extent of the anion occupancy can thus be regulated, giving rise to control of the water flow. Taken together, great permeability, selectivity and controllability can be achieved with this nanosheet system. Moreover, our study suggests there is an alternative mechanism of water desalination which may be realized by intrinsically nanoporous materials such as FePc membranes.
WOS关键词	CARBON NANOTUBE MEMBRANES ; MOLECULAR-DYNAMICS ; POROUS GRAPHENE ; SINGLE-LAYER ; TRANSPORT ; SIMULATION ; CHANNEL ; TECHNOLOGY ; SEPARATION ; COLLAPSE
语种	英语
WOS记录号	WOS:000372229700060
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/260433]
专题	高能物理研究所_多学科研究中心
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Deng QM,Pan J,Yin XH,et al. Toward high permeability, selectivity and controllability of water desalination with FePc nanopores[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(11):8140-8147.
APA	邓庆明.,潘俊.,尹晓蕙.,王晓峰.,赵丽娜.,...&Li, JY.(2016).Toward high permeability, selectivity and controllability of water desalination with FePc nanopores.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(11),8140-8147.
MLA	邓庆明,et al."Toward high permeability, selectivity and controllability of water desalination with FePc nanopores".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.11(2016):8140-8147.