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Title: Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination

Abstract

Nanoporous graphene (NPG) shows tremendous promise as an ultra-permeable membrane for water desalination thanks to its atomic thickness and precise sieving properties. However, a significant gap exists in the literature between the ideal conditions assumed for NPG desalination and the physical environment inherent to reverse osmosis (RO) systems. In particular, the water permeability of NPG has been calculated previously based on very high pressures (1000–2000 bars). Does NPG maintain its ultrahigh water permeability under real-world RO pressures (<100 bars)? Here, we answer this question by drawing results from molecular dynamics simulations. Our results indicate that NPG maintains its ultrahigh permeability even at low pressures, allowing a permeate water flux of 6.0 l/h-bar per pore, or equivalently 1041 ± 20 l/m{sup 2}-h-bar assuming a nanopore density of 1.7 × 10{sup 13} cm{sup −2}.

Authors:
;  [1]
  1. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)
Publication Date:
OSTI Identifier:
22419806
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 141; Journal Issue: 7; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; DENSITY; DESALINATION; GRAPHENE; MEMBRANES; MOLECULAR DYNAMICS METHOD; OSMOSIS; PRESSURE RANGE GIGA PA; PRESSURE RANGE KILO PA; PRESSURE RANGE MEGA PA 100-1000; PRESSURE RANGE PA; SIMULATION

Citation Formats

Cohen-Tanugi, David, and Grossman, Jeffrey C. Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination. United States: N. p., 2014. Web. doi:10.1063/1.4892638.
Cohen-Tanugi, David, & Grossman, Jeffrey C. Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination. United States. doi:10.1063/1.4892638.
Cohen-Tanugi, David, and Grossman, Jeffrey C. Thu . "Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination". United States. doi:10.1063/1.4892638.
@article{osti_22419806,
title = {Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination},
author = {Cohen-Tanugi, David and Grossman, Jeffrey C.},
abstractNote = {Nanoporous graphene (NPG) shows tremendous promise as an ultra-permeable membrane for water desalination thanks to its atomic thickness and precise sieving properties. However, a significant gap exists in the literature between the ideal conditions assumed for NPG desalination and the physical environment inherent to reverse osmosis (RO) systems. In particular, the water permeability of NPG has been calculated previously based on very high pressures (1000–2000 bars). Does NPG maintain its ultrahigh water permeability under real-world RO pressures (<100 bars)? Here, we answer this question by drawing results from molecular dynamics simulations. Our results indicate that NPG maintains its ultrahigh permeability even at low pressures, allowing a permeate water flux of 6.0 l/h-bar per pore, or equivalently 1041 ± 20 l/m{sup 2}-h-bar assuming a nanopore density of 1.7 × 10{sup 13} cm{sup −2}.},
doi = {10.1063/1.4892638},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 7,
volume = 141,
place = {United States},
year = {2014},
month = {8}
}