Enhancing tracer diffusivity by tuning interparticle interactions and solvation shell structure

ORAL

Abstract

Using computer simulations, we explore how tuning the tracer-solvent interactions affects the dynamics of a tracer particle. Optimizing the tracer particle contribution to excess entropy results in significant increases in tracer particle diffusivity. We also observe increases in dynamics while increasing the effective particle size. These changes are investigated at various densities and particle size ratios.

Authors

  • James Carmer

    • University of Texas at Austin Chemical Engineering
  • Gaurav Goel

    • University of Texas at Austin Chemical Engineering
  • Tom Truskett

    • University of Texas at Austin Chemical Engineering