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.
@article{arxiv.cond-mat/0403350,
title = {Efficient simulations of charged colloidal dispersions: A density functional approach},
author = {Kang Kim and Ryoichi Yamamoto},
journal= {arXiv preprint arXiv:cond-mat/0403350},
year = {2007}
}