Gaurav Goel1, James Carmer1, William P. Krekelberg1, Vincent K. Shen2, Jeffrey Errington3, Venkat Ganesan1, and Thomas M. Truskett4. (1) Department of Chemical Engineering, The University of Texas at Austin, 1 University Station, C0400, Austin, TX 78705, (2) Physical and Chemical Properties Division, NIST, 100 Bureau Dr. MS 8380, Gaithersburg, MD 20899-8380, (3) Chemical & Biological Engineering, University of Buffalo, 303 Furnas Hall, SUNY at Buffalo, Buffalo, NY 14260, (4) Department of Chemical Engineering and Institute for Theoretical Chemistry, The University of Texas at Austin, 1 University Station, C0400, Austin, TX 78712
We explore via molecular simulations the correlation between self-diffusivity and partial excess entropy of a tracer particle in a hard-sphere like colloidal fluid. We then use a classical density functional theory (DFT) to obtain tracer-particle interactions that increase the partial excess entropy of the tracer by changing the tracer-particle pair correlation function. Finally, we show that interactions between a polymer coated tracer particle and an uncoated particle can be mapped approximately on the potential obtained above using DFT. We then explore the dynamics of a tracer particle with these two sets of interactions via molecular dynamics simulations.