Molecular modeling of fluid separations using membranes: effect of molecular forces on mass transfer rates

被引：27

作者：

Murad, S ^{[1
]}

Lin, J ^{[1
]}

机构：

[1] Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA

来源：

CHEMICAL ENGINEERING JOURNAL | 1999年 / 74卷 / 1-2期

关键词：

mass transfer rates; molecular dynamics; semi-permeable membranes;

D O I：

10.1016/S1385-8947(99)00051-0

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

We report computer simulations of semi-permeable membranes using the method of molecular dynamics, to study solutions undergoing osmosis and reverse osmosis. These studies have been carried out at steady state, by periodically recycling solvent molecules that permeate the semi-permeable membrane. The method has been used to investigate the effect of a range of molecular forces, state conditions, and membrane morphology on the mass transfer rate of solvents across the membrane. These results could be used to test the accuracy of continuum, micro-continuum and statistical mechanical theories for transport across membranes, apart from being of intrinsic fundamental interest. (C) 1999 Elsevier Science S.A. All rights reserved.

引用

页码：99 / 108

页数：10

共 19 条

[1]

Allen M. P., 1987, Computer Simulation of Liquids

[2] A fluid in contact with a semipermeable membrane: density functional approach [J].