Abstract
We report the results of simulations of the ionic mobility of Na+ and Cl- in supercritical water at 673 K, including solvent densities below those previously considered in simulation or experimental data. By considering these results along with earlier published analyses, we find that the spatially inhomogeneous solvation structure around the ions and solvent dynamics are strongly coupled in determining transport rates. The appearance of a plateau in the infinite-dilution conductivity over a wide range of intermediate solvent densities is a result of a subtle balance of excess (dielectric) friction and a nonlinear variation in the viscous friction. The result is strongly influenced by the inhomogeneous solvent density around the ions, but cannot be rationalized on the basis of only structural criteria. A reduced effective ionic radius is introduced that is inversely proportional to the Walden product and can be trivially evaluated from experimental conductivity results. It is shown that when represented i...
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