Title of article :
Molecular dynamics simulations in membrane-based water treatment processes: A systematic overview
Author/Authors :
Hannah Ebro، نويسنده , , Young Mi Kim، نويسنده , , Joon Ha Kim، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Pages :
14
From page :
112
To page :
125
Abstract :
A thorough investigation of membranes as well as their transport and material properties is a key to understanding the governing principles and unresolved issues of membrane processes. Through molecular dynamics (MD) simulations, static and dynamic properties of membrane separation systems may be investigated on a molecular level. By reviewing over 70 articles, this paper aims to highlight the usefulness of applying molecular dynamics in membranes (MDM) in order to broaden our knowledge of membrane-based water treatment processes. Here, the theoretical foundations of classical MD are described together with the results that are obtainable from MDM simulations. By compiling results from published works, we emphasize the ability of MD to determine membrane transport and material properties from simulations. The authors conclude by suggesting the further use of MDM for prospective research areas pertaining to membrane-based water treatment processes.
Keywords :
Reverse osmosis , molecular dynamics , Desalination , Filtration , Nanotube
Journal title :
Journal of Membrane Science
Serial Year :
2013
Journal title :
Journal of Membrane Science
Record number :
1359710
Link To Document :
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