Dynamical Density Functional Theory for Orientable Colloids Including Inertia and Hydrodynamic Interactions

作者：Duran Olivencia Miguel A; Goddard Benjamin D; Kalliadasis Serafim^*

来源：Journal of Statistical Physics, 2016, 164(4): 785-809.

DOI：10.1007/s10955-016-1545-5

• Dynamical density functional theory
• Colloidal fluids
• Arbitrary-shape particles
• Orientable colloids

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.

• 出版日期2016-8