On the structure and rejection of ions by a polyamide membrane in pressure-driven molecular dynamics simulations

被引：79

作者：

Ding, Minxia ^{[1
]}

Szymczyk, Anthony ^{[1
]}

Ghoufi, Aziz ^{[2
]}

机构：

[1] Univ Rennes 1, CNRS, Inst Sci Chim Rennes, UMR 6226, F-35042 Rennes, France

[2] Univ Rennes 1, Inst Phys Rennes, UMR CNRS 6251, F-35042 Rennes 05, France

来源：

DESALINATION | 2015年 / 368卷

关键词：

Molecular dynamics simulations; Polyamide; Reverse-osmosis; Electrolytic solution; REVERSE-OSMOSIS MEMBRANE; ATOMISTIC SIMULATION; WATER TRANSPORT; SALT REJECTION; MODEL; DESALINATION; TECHNOLOGY;

D O I：

10.1016/j.desal.2015.01.003

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

Pressure-driven molecular dynamics simulations were carried out to investigate both structural and transport properties of a sodium chloride solution through a highly cross-linked polyamide membrane. Transport properties were characterized from the calculation of water permeability and salt rejection while the local structure was analyzed through hydration number, hydrogen bond number and radial distribution functions. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：76 / 80

页数：5

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