Efficient Simulations of Charged Colloidal Dispersions: A Density Functional Approach

Abstract Summary: A numerical method is presented for simulating 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. Formation of a charged colloidal crystal. magnified image Formation of a charged colloidal crystal.