Efficient simulations of charged colloidal dispersions: A density functional approach

Details Efficient simulations of charged colloidal dispersions: A density functional approach Efficient simulations of charged colloidal dispersions: A density functional approach

2004-03-15

arxiv.org/abs/cond-mat/0403350v3

Macromolecular Theory and Simulations 14, 278 (2005)

Physics

Condensed Matter

Soft Condensed Matter

6 pages, 4 figures

Scientific paper

10.1002/mats.200400068

A numerical method is presented for first-principle simulations of charged colloidal dispersions in electrolyte solutions. Utilizing a smoothed profile for colloid-solvent boundaries, efficient mesoscopic simulations are enabled for modeling dispersions of many colloidal particles exhibiting many-body electrostatic interactions. The validity of the method was examined for simple colloid geometries, and the efficiency was demonstrated by calculating stable structures of two-dimensional dispersions, which resulted in the formation of colloidal crystals.

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