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Influence of electric fields on the efficiency of multilayer graphene membrane

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Abstract

Multilayer graphene membranes could be considered as an efficient membrane in water desalination processes based on the reverse osmosis (RO) method. In this study, we designed multilayer graphene channels using the molecular dynamics (MD) simulation approach. The effects of different parameters, such as channel width and length, and the pressure on the operation of the designed channels were examined, in the absence and presence of electric fields with various amplitudes and directions. The results indicated that the ion separation and water flow through the channels were modified under the application of the electric fields. Additionally, it has been shown that salt rejection and water flow could be controlled by the channel’s structural parameters mentioned above. The obtained results of this study at the molecular level can improve the knowledge of designing membranes for water purification processes.

Using MD method a multilayer graphene membrane was designed to separate Na+ and Cl– ions from a NaCl solution by the aid of external electric field, which can significantly effect the membrane operation.

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Authors and Affiliations

  1. Department of Physics, University of Isfahan, Isfahan, 8174673441, Iran

    M. Kargar, F. Khashei Varnamkhasti & A. Lohrasebi

  2. School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran, 193955531, Iran

    A. Lohrasebi

Authors
  1. M. Kargar
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  2. F. Khashei Varnamkhasti
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  3. A. Lohrasebi
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Correspondence to A. Lohrasebi.

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Kargar, M., Khashei Varnamkhasti, F. & Lohrasebi, A. Influence of electric fields on the efficiency of multilayer graphene membrane. J Mol Model 24, 241 (2018). https://doi.org/10.1007/s00894-018-3774-9

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  • DOI: https://doi.org/10.1007/s00894-018-3774-9

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