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Indexed by:期刊论文

Date of Publication:2012-09-01

Journal:JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Included Journals:SCIE、EI、Scopus

Volume:26

Issue:12-17,SI

Page Number:1897-1908

ISSN No.:0169-4243

Key Words:Couette flow; water; charged graphene sheet; boundary slip; molecular dynamics

Abstract:Water molecules sheared by two parallel graphene sheets are simulated using molecular dynamics simulations. The shear rate of water flow increases with increasing pull velocity of graphene sheets until the limiting shear stress of graphene sheets is reached. Compared with the uncharged graphene sheets, the introduction of the charge can enhance the interaction strength between the carbon atoms and the water molecules, which results in the increase of the limiting shear rate and the decrease of the slip length. For the graphene sheets with different charges, the boundary slip decreases with increasing charge on the carbon atoms. Meanwhile, compared with the uncharged graphene sheets, the water molecules dragged by the graphene sheets with 0.20 e per carbon atom exhibit an opposite trend in the velocity profile at the boundary. The simulation results also reveal slight discrepancy in the influence of the electric property (negative and positive charges) on the water flow confined between charged graphene sheets. (C) Koninklijke Brill NV, Leiden, 2011