Effective diffusion coefficients in random packings of polydisperse hard spheres from two-point and three-point correlation functions

  • Hlushkou D
  • Liasneuski H
  • Tallarek U
 et al. 
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We evaluate the effective diffusion coefficient D-eff in random packings
of polydisperse hard spheres with an analytical formula involving the
three-point microstructural parameter sigma(2). Bulk packings with solid
volume fraction between phi = 0.54 and phi = 0.634 were
computer-generated using experimentally determined particle size
distributions characterized by different mean particle diameter and
associated standard deviation. The parameter sigma(2) was calculated
from two-and three-point correlation functions S-2 and S-3,
respectively, via an approach based on sampling templates. Results of
the asymptotic analysis for S-2 and S-3 compare favorably with
theoretical predictions. Effective diffusivities calculated by the
approximate analytical formula are close to those obtained from
simulations using a random-walk particle-tracking technique. The values
of D-eff are affected by the packings' solid volume fraction, the
spatial positions of the spheres, and to a far lesser extent by the
particles' polydispersity. The proposed numerical approach can be
applied to evaluate effective diffusive transport properties of general
two-phase materials just from the geometrical information embodied in
phi and sigma(2). (C) 2015 AIP Publishing LLC.

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