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Charged Nanoporous Graphene Membranes for Water Desalination

Abstract

Water desalination using positively and negatively charged single-layer nanoporous graphene membranes are investigated using molecular dynamics (MD) simulations. Pressure-driven flows are induced by the motion of specular reflecting boundaries with a constant speed, resulting in a prescribed volumetric flow rate. Simulations are performed for 14.40 Å hydraulic pore diameter membrane with four different electric charges distributed on the pore edges. Salt rejection efficiencies and the resulting pressure drops are compared with the previously obtained base-line case of 9.9 Å diameter pristine graphene membrane, which exhibits 100% salt rejection with 35.02 MPa pressure drop at the same flow rate. Among the positively charged cases, q = 9e shows 100% and 98% rejection for Na+ and Cl- ions respectively, with 35% lower pressure drop than the reference. For negatively charged pores, optimum rejection efficiencies of 94% and 93% are obtained for Na+ and Cl- ions for the q = -6e case, which requires 60.6% less pressure drop than the reference. The results indicate the high potential of using charged nanoporous graphene membranes in reverse osmosis (RO) desalination systems with enhanced performance.

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Publication details

The article was received on 23 Feb 2019, accepted on 15 Apr 2019 and first published on 15 Apr 2019


Article type: Paper
DOI: 10.1039/C9CP01079C
Citation: Phys. Chem. Chem. Phys., 2019, Accepted Manuscript

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    Charged Nanoporous Graphene Membranes for Water Desalination

    C. T. Nguyen and A. Beskok, Phys. Chem. Chem. Phys., 2019, Accepted Manuscript , DOI: 10.1039/C9CP01079C

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