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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.

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