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Using molecular dynamics (MD) simulations, a porous graphene membrane was exposed to external electric fields to separate positive and negative ions from salt-water and to produce fresh water. It was observed that, by increasing the strength of the applied electric field, ion separation improved noticeably. In addition, to obtain fresh water, the designed system included two graphene membranes, which are exposed to two external electric fields in opposite directions. Ion rejection was found to be greater than 93% for the electric field of 10 mV/Å and higher. This atomic-level simulation increases the understanding of electric field effects on desalination using multilayer graphene membranes and can be helpful in designing more efficient membranes.


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Ion separation and water purification by applying external electric field on porous graphene membrane

Show Author's information Amir Lohrasebi1,2( )Samaneh Rikhtehgaran3
Department of PhysicsUniversity of IsfahanIsfahan81746-73441Iran
School of Nano ScienceInstitute for Research in Fundamental Sciences (IPM)Tehran19395-5531Iran
Department of PhysicsFlorida Atlantic University777 Glades RoadBoca Raton, FL33431-0991USA

Abstract

Using molecular dynamics (MD) simulations, a porous graphene membrane was exposed to external electric fields to separate positive and negative ions from salt-water and to produce fresh water. It was observed that, by increasing the strength of the applied electric field, ion separation improved noticeably. In addition, to obtain fresh water, the designed system included two graphene membranes, which are exposed to two external electric fields in opposite directions. Ion rejection was found to be greater than 93% for the electric field of 10 mV/Å and higher. This atomic-level simulation increases the understanding of electric field effects on desalination using multilayer graphene membranes and can be helpful in designing more efficient membranes.

Keywords: molecular dynamics simulation, electric field, desalination, nanoporous graphene membrane, ion separation

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Publication history
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Publication history

Received: 17 July 2017
Revised: 14 August 2017
Accepted: 04 September 2017
Published: 19 March 2018
Issue date: April 2018

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© Tsinghua University Press and Springer-Verlag GmbH Germany 2017
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