How colloid-colloid interactions and hydrodynamic effects influence the percolation threshold: A simulation study in alumina suspensions

J Colloid Interface Sci. 2015 Nov 15:458:241-6. doi: 10.1016/j.jcis.2015.07.058. Epub 2015 Jul 26.

Abstract

The percolation behavior of alumina suspensions is studied by computer simulations. The percolation threshold ϕc is calculated, determining the key factors that affect its magnitude: the strength of colloid-colloid attraction and the presence of hydrodynamic interactions (HIs). To isolate the effects of HIs, we compare the results of Brownian Dynamics, which do not include hydrodynamics, with those of Stochastic Rotation Dynamics-Molecular Dynamics, which include hydrodynamics. Our results show that ϕc decreases with the increase of the attraction between the colloids. The inclusion of HIs always leads to more elongated structures during the aggregation process, producing a sizable decrease of ϕc when the colloid-colloid attraction is not too strong. On the other hand, the effects of HIs on ϕc tend to become negligible with increasing attraction strength. Our ϕc values are in good agreement with those estimated by the yield stress model by Flatt and Bowen.

Keywords: Brownian Dynamics; Ceramic processing; Computer simulations; Hydrodynamic interactions; Ionic strength; Molecular Dynamics; Percolation threshold; Stochastic Rotation Dynamics.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Aluminum Oxide / chemistry*
  • Colloids / chemistry*
  • Hydrodynamics*
  • Molecular Dynamics Simulation*
  • Rheology
  • Suspensions

Substances

  • Colloids
  • Suspensions
  • Aluminum Oxide