Shear dynamics of hydration layers

  • Leng Y
  • Cummings P
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Abstract

Molecular dynamics (MD) simulations have been performed to investigate the shear dynamics of hydration layers of the thickness of D=0.61–2.44nm confined between two mica surfaces. Emphases are placed on the external shear response and internal relaxation properties of aqueous films. For D=0.92–2.44nm liquid phase, the shear responses are fluidic and similar to those observed in surface force balance experiments [U. Raviv and J. Klein, Science 297, 1540 (2002)]. However, for the bilayer ice (D=0.61nm) [Y. S. Leng and P. T. Cummings, J. Chem. Phys. 124, 74711 (2006)] significant shear enhancement and shear thinning over a wide range of shear rates in MD regime are observed. The rotational relaxation time of water molecules in this bilayer ice is found to be as high as 0.017ms (10−5s). Extrapolating the shear rate to the inverse of this longest relaxation time, we obtain a very high shear viscosity for the bilayer ice, which is also observed quite recently for D⩽0.6±0.3nm hydration layers [H. Sakuma et al., ...

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Authors

  • Yongsheng Leng

  • Peter T. Cummings

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