Dynamical density functional theory with hydrodynamic interactions in confined geometries

B D Goddard; A Nold; S Kalliadasis

doi:10.1063/1.4968565

Dynamical density functional theory with hydrodynamic interactions in confined geometries

J Chem Phys. 2016 Dec 7;145(21):214106. doi: 10.1063/1.4968565.

Authors

B D Goddard¹, A Nold², S Kalliadasis²

Affiliations

¹ School of Mathematics and Maxwell Institute for Mathematical Sciences, University of Edinburgh, Edinburgh EH9 3FD, United Kingdom.
² Department of Chemical Engineering, Imperial College London, London SW7 2AZ, United Kingdom.

PMID: 28799384
DOI: 10.1063/1.4968565

Abstract

We study the dynamics of colloidal fluids in both unconfined geometries and when confined by a hard wall. Under minimal assumptions, we derive a dynamical density functional theory (DDFT) which includes hydrodynamic interactions (HI; bath-mediated forces). By using an efficient numerical scheme based on pseudospectral methods for integro-differential equations, we demonstrate its excellent agreement with the full underlying Langevin equations for systems of hard disks in partial confinement. We further use the derived DDFT formalism to elucidate the crucial effects of HI in confined systems.