Solute motion in ionic liquids shows both similarities and differences from motion in conventional solvents.  For example, the size-dependence of translational diffusion rates are qualitatively similar in these two solvent classes.  Simple hydrodynamic predictions provide reasonably accurate descriptions of diffusion coefficients when solutes are larger than solvent molecules, but are poor in the opposite limit, where charged and neutral solutes both depart from such predictions in opposite directions.  While qualitatively similar, much stronger dependence on solute size is observed in ionic liquids, and is such that small gaseous solutes diffuse hundreds of times faster than Stokes-Einstein predictions.  Distinctive mechanisms of transport and solute rotational dynamics also appear in ionic liquids, as a result of the strong electrostatic coupling present in these liquids.  We have been using molecular dynamics simulations of model solute/solvent systems in order to better understand the frictional origins underlying the distinctive characteristics of solute translation and rotation in ionic liquids.  This talk will present our most recent results on this topic.<br/>

Simulations of friction on solute motion in ionic liquids

255th National Meeting (2018)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.