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Vol. 30 No. 11 (2018): Vol 30 Issue 11

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Molecular Dynamics Simulation Study of Colloidal Suspensions under Confinement

https://doi.org/10.14233/ajchem.2018.21443
P. Uday Kumar
Department of Chemistry, Birla Institute of Technology & Science, Pilani-K.K. Birla Goa Campus, Zuarinagar-403 726, India
R.N. Behera
Department of Chemistry, Birla Institute of Technology & Science, Pilani-K.K. Birla Goa Campus, Zuarinagar-403 726, India

Corresponding Author(s) : R.N. Behera

rbehera@goa.bits-pilani.ac.in

Asian Journal of Chemistry, Vol. 30 No. 11 (2018): Vol 30 Issue 11

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
Kumar, P. U., & Behera, R. (2018). Molecular Dynamics Simulation Study of Colloidal Suspensions under Confinement. Asian Journal of Chemistry, 30(11), 2450–2454. https://doi.org/10.14233/ajchem.2018.21443
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