Molecular Dynamics Simulation Study of Colloidal Suspensions under Confinement

P. Uday Kumar and R.N. Behera*

Department of Chemistry, Birla Institute of Technology & Science, Pilani-K.K. Birla Goa Campus, Zuarinagar-403 726, India

*Corresponding author: Fax: +91 832 2557031; Tel: +91 832 2580331; E-mail: rbehera@goa.bits-pilani.ac.in

Abstract

The density profiles and self-diffusion coefficients of model colloidal suspensions confined between two parallel walls have been studied using classical molecular dynamics simulation. The colloidal suspensions are modeled as asymmetric mixture of spherical particles interacting via Weeks-Chandler-Andersen (WCA) and Coulomb potential. Both the charged as well as neutral walls are considered. Systematic variations in density profiles as well as the self-diffusion coefficients are found with the size and charge of the colloid and with the kind of walls.

Keywords

Molecular dynamics simulation, Density profile, Self-diffusion coefficient, Colloid, Confinement.

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