Resumen:
Over the last few decades, classical density-functional theory (DFT) and its dynamic extensions (DDFTs) have become powerful tools in the study of colloidal fluids. Recently, previous DDFTs for spherically-symmetric particles have been generalised to take into account both inertia and hydrodynamic interactions, two effects which strongly influence non-equilibrium properties. The present work further generalises this framework to systems of anisotropic particles. Starting from the Liouville equation and utilising Zwanzig’s projection-operator techniques, we derive the kinetic equation for the Brownian particle distribution function, and by averaging over all but one particle, a DDFT equation is obtained. Whilst this equation has some similarities with DDFTs for spherically-symmetric colloids, it involves a translational-rotational coupling which affects the diffusivity of the (asymmetric) particles. We further show that, in the overdamped (high friction) limit, the DDFT is considerably simplified and is in agreement with a previous DDFT for colloids with arbitrary-shape particles.
Palabras Clave: Dynamical density functional theory · Colloidal fluids · Arbitrary-shape particles · Orientable colloids
Índice de impacto JCR y cuartil WoS: 1,349 - Q2 (2016); 1,600 - Q2 (2022)
Referencia DOI:
https://doi.org/10.1007/s10955-016-1545-5
Publicado en papel: Agosto 2016.
Publicado on-line: Junio 2016.
Cita:
M.A. Durán-Olivencia, B.D. Goddard, S. Kalliadasis, Dynamical density functional theory for orientable colloids including inertia and hydrodynamic interactions. Journal of Statistical Physics. Vol. 164, nº. 4, pp. 785 - 809, Agosto 2016. [Online: Junio 2016]
