Unveiling the hydroxyl-dependent viscosity of water in graphene oxide nanochannels via molecular dynamics simulations

CZ Sun and RF Zhou and ZX Zhao and BF Bai, CHEMICAL PHYSICS LETTERS, 778, 138808 (2021).

DOI: 10.1016/j.cplett.2021.138808

We present a molecular dynamics study on the viscosity of water confined in graphene oxide (GO) nanochannels, with a major consideration of its dependence on the density of hydroxyl groups on GO sheets. The results show that the anisotropic water viscosity exhibits a nonmonotonic variation with the density of hydroxyl groups, owing to the coupling interactions between water molecules and GO sheets and their relating momentum dissipation among water molecules within water layers, viscous friction among water layers. The calculated viscosity is consistent with the experimentally and numerically reported water viscosity in literature and the Eyring's absolute action theory.

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