Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2011-01-10
Journal of Chemical Physics 134 081101 (2011)
Physics
Condensed Matter
Soft Condensed Matter
Scientific paper
10.1063/1.3559676
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.
Errington Jeffrey R.
Pond Mark J.
Truskett Thomas M.
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