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Title: Molecular dynamics study of pressure-driven water transport through graphene bilayers
Authors: Liu, Bo
Wu, Renbing
Baimova, Julia A.
Wu, Hong
Law, Adrian Wing-Keung
Dmitriev, Sergey V.
Zhou, Kun
Keywords: DRNTU::Engineering::Environmental engineering::Water treatment
Issue Date: 2015
Source: Liu, B., Wu, R., Baimova, J. A., Wu, H., Law, A. W.-K., Dmitriev, S. V., et al. (2016). Molecular dynamics study of pressure-driven water transport through graphene bilayers. Physical Chemistry Chemical Physics, 18(3), 1886-1896.
Series/Report no.: Physical Chemistry Chemical Physics
Abstract: The pressure-driven water transport inside the nanochannel formed by GE bilayers is studied via molecular dynamics simulation. The effects of flow driving pressure and channel size, as well as interaction strength between the water molecules and the GE bilayer are investigated and understood by exploring the distribution of the water molecules, their average velocity, and the friction between them and the channel walls. Ultrafast water flow rate is observed and different channel size dependences of the water flow rate are discovered for weak and strong interaction strengths. The layered water structure inside the GE bilayer is found to play a significant role in influencing the water flow rate. This study is of significance for the design and application of GE-based nanomaterials in future nanofiltration and water purification technologies.
ISSN: 1463-9076
DOI: 10.1039/C5CP04976H
Rights: © 2015 Royal Society of Chemistry. This is the author created version of a work that has been peer reviewed and accepted for publication by Physical Chemistry Chemical Physics, Royal Society of Chemistry. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [].
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:CEE Journal Articles
MAE Journal Articles
NEWRI Journal Articles

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