Dynamical density functional theory for orientable colloids including inertia and hydrodynamic interactions

DOI10.1007/S10955-016-1545-5MaRDI QIDQ321332zbMATH OpenOpenAlexFDO

Authors Miguel A. Durán-Olivencia, B. D. Goddard, S. Kalliadasis

Publication date 13 October 2016

Published in Journal of Statistical Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1607.02372

zbMATH Keywords

arbitrary-shape particlescolloidal fluidsdynamical density functional theoryorientable colloids

Mathematics Subject Classification ID

Brownian motion (60J65) NLS equations (nonlinear Schrödinger equations) (35Q55) Fokker-Planck equations (35Q84) Atomic physics (81V45) Molecular physics (81V55) Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31)

Abstract: 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.

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Cited in

(10)

• The overdamped limit of dynamic density functional theory: rigorous results
• Modelling inelastic granular media using dynamical density functional theory
• Dynamics of particle aggregation in dewetting films of complex liquids
• A finite-volume method for fluctuating dynamical density functional theory
• Flux globalization based well-balanced central-upwind schemes for hydrodynamic equations with general free energy
• General framework for fluctuating dynamic density functional theory
• A positivity-preserving scheme for fluctuating hydrodynamics
• Brownian dynamics of active and passive anisotropic colloidal particles.
• Memory effects in fluctuating dynamic density-functional theory: theory and simulations
• Well-Balanced Finite-Volume Schemes for Hydrodynamic Equations with General Free Energy

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