title: Communication: Generalizing Rosenfeld's excess-entropy scaling to predict long-time diffusivity in dense fluids of Brownian particles: from hard to ultrasoft interactions.
abstract: Computer simulations are used to test whether a recently introduced generalization of Rosenfeld's excess-entropy scaling method for estimating transport coefficients in systems obeying molecular dynamics can be extended to predict long-time diffusivities in fluids of particles undergoing Brownian dynamics in the absence of interparticle hydrodynamic forces. Model fluids with inverse-power-law, Gaussian-core, and Hertzian pair interactions are considered. Within the generalized Rosenfeld scaling method, long-time diffusivities of ultrasoft Gaussian-core and Hertzian particle fluids, which display anomalous trends with increasing density, are predicted (to within 20%) based on knowledge of interparticle interactions, excess entropy, and scaling behavior of simpler inverse-power-law fluids.
authors.affiliation: Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712, USA.
authors.forename: Mark J
authors.initials: MJ
authors.lastname: Pond
authors.forename: Jeffrey R
authors.initials: JR
authors.lastname: Errington
authors.forename: Thomas M
authors.initials: TM
authors.lastname: Truskett