Highly efficient water desalination in carbon nanocones

被引：73

作者：

Li, Wen ^{[1
,2
]}

Wang, Wensen ^{[1
]}

Zhang, Yingnan ^{[1
]}

Yan, Youguo ^{[1
]}

Kral, Petr ^{[2
,3
,4
]}

Zhang, Jun ^{[1
]}

机构：

[1] China Univ Petr East China, Coll Sci, Qingdao 266580, Shandong, Peoples R China

[2] Univ Illinois, Dept Chem, Chicago, IL 60607 USA

[3] Univ Illinois, Dept Phys, Chicago, IL 60607 USA

[4] Univ Illinois, Dept Biopharmaceut Sci, Chicago, IL 60607 USA

来源：

CARBON | 2018年 / 129卷

基金：

中国国家自然科学基金;

关键词：

NANOTUBE MEMBRANES; MOLECULAR-DYNAMICS; REVERSE-OSMOSIS; TRANSPORT; CHANNEL; PURIFICATION; SELECTIVITY; MECHANISM; NANOPORES; PROTEINS;

D O I：

10.1016/j.carbon.2017.12.039

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Inspired by the highly efficient water transport presented in hourglass-shaped aquaporin channels, molecular dynamics simulations were conducted to study water desalination in carbon nanocones (CNCs). Their desalination performance (salt rejection, water flow) depends on the cone size, angle, and flow direction (nonequilibrium). Free energy calculations reveal that ultrasmall CNCs with apex angles of 19.2 degrees provide the best desalination performance, since they contain relatively ordered water structures, providing high water flows, but have a high ion rejection rate. The desalination performance observed in these CNCs is better than in nanoporous graphene and MoS2 monolayers. (c) 2017 Elsevier Ltd. All rights reserved.

引用

页码：374 / 379

页数：6

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