Size Dependence of Solute Diffusivity and Stokes-Einstein Relationship: Effect of van der Waals Interaction
نویسندگان
چکیده
Size dependence of solute diffusivity has been investigated using molecular dynamics simulations for a range of solute radii in a binary mixture consisting of solute and solvent species. We demonstrate that the Stokes-Einstein relationship between self diffusivity and solute radius breaks down over a range of solute-solvent size ratios. This is a result of the previously known Levitation Effect. Three distinct regimes can be seen depending on the solute-solvent size ratio. Several properties have been computed to understand the nature of solute motion in the three regimes.
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