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.
*Supported by the DOE Office of Basic Energy Sciences, Division of Materials Science and Engineering. Sandia is operated by the Lockheed Martin Co. for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL8500
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