Viscosity of ultrathin water films confined between oxide surfaces -- ab initio and classical molecular dynamics simulations
ORAL
Abstract
We compare estimates based on ab initio (DFT/PBE) and on classical molecular dynamics simulations of the viscosity of 2, 3 and 5-layer water films confined between hydrophilic kaolinite surfaces. Results were obtained by constraining the confining surfaces to move in +x and -x directions at equal speeds of 1-200 m/sec and loads up to 1 GPa. In neither simulation approach did the calculated viscosity of the confined water exceed that of bulk water by more than an order of magnitude. Thus neither supports the idea that nano-confinement dramatically enhances water's viscosity.
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Authors
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Peter J. Feibelman
Sandia National Laboratories
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Gary Grest
Sandia National Laboratories, Center for Integrated Nanotechnologies, Sandia National Laboratories, Albuquerque, NM
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Neil Haria
King's College London
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Christian D. Lorenz
King's College London