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Effects of slit width on water permeation through graphene membrane by molecular dynamics simulations.

ABSTRACT: Graphene membranes can be used for nanoscale filtration to remove atoms and are expected to be used for separation. To realize high-permeability and high-filtration performance, we must understand the flow configuration in the nanochannels. In this study, we investigated the applicability of continuum-dynamics laws to water flow through a graphene slit. We calculated the permeability of the flow through a slit using classical molecular dynamics (MD) and compared the MD simulation results for different Knudsen numbers (Kn) to predictions based on the no-slip model and slip model. Consequently, the flow through the graphene nanoslit was treated as slip flow only in the range of Kn < 0.375. This study provides guidelines for the development of graphene filtration membranes.

SUBMITTER: Yamada T

PROVIDER: S-EPMC5762883 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature

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Effects of slit width on water permeation through graphene membrane by molecular dynamics simulations.

Yamada Taro T Matsuzaki Ryosuke R

Scientific reports 20180110 1

Graphene membranes can be used for nanoscale filtration to remove atoms and are expected to be used for separation. To realize high-permeability and high-filtration performance, we must understand the flow configuration in the nanochannels. In this study, we investigated the applicability of continuum-dynamics laws to water flow through a graphene slit. We calculated the permeability of the flow through a slit using classical molecular dynamics (MD) and compared the MD simulation results for dif ...[more]

PMID: 29321489

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