2016
DOI: 10.1038/srep38583
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Channel morphology effect on water transport through graphene bilayers

Abstract: The application of few-layered graphene-derived functional thin films for molecular filtration and separation has recently attracted intensive interests. In practice, the morphology of the nanochannel formed by the graphene (GE) layers is not ideally flat and can be affected by various factors. This work investigates the effect of channel morphology on the water transport behaviors through the GE bilayers via molecular dynamics simulations. The simulation results show that the water flow velocity and transport… Show more

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Cited by 33 publications
(26 citation statements)
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“…However, once flow is induced, the density profiles show a decreasing gradient from the retentate (right) to the eluate volumes (left). [56,57]. It is possible that these effects are due to surface roughness, which perturbs the uniform movement of fluid molecules and increases the resistance to transport.…”
Section: Accepted Manuscriptmentioning
confidence: 99%
“…However, once flow is induced, the density profiles show a decreasing gradient from the retentate (right) to the eluate volumes (left). [56,57]. It is possible that these effects are due to surface roughness, which perturbs the uniform movement of fluid molecules and increases the resistance to transport.…”
Section: Accepted Manuscriptmentioning
confidence: 99%
“…The minus sign denotes the downward direction of the force along the Z ‐direction. This method has been proven effective to investigate the flow properties of confined water in nanochannels in various previous studies . The time step of the simulations is set to be 0.5 fs, and the thermodynamics information is recorded every 0.5 ps.…”
Section: Simulation Modelmentioning
confidence: 99%
“…At the nanoscale, surface effects become dominant owing to which the confined fluids start exhibiting unique physical, thermal, electrical and chemical characteristics that differ from the macroscale [8,9]. Various features of a nanochannel, such as its pore size, length, roughness and morphology, greatly influence the transport characteristics of the fluid [10][11][12][13][14][15][16]. Furthermore, new physical constraints are imposed on the fluid as the characteristic physical scaling lengths become comparable to the size of the flow domain, which can result in a further alteration in the behaviour of fluids in nanoconfinements.…”
Section: Introductionmentioning
confidence: 99%