Multi-species dynamical density functional theory

B.D. Goddard; A. Nold; S. Kalliadasis

doi:10.1063/1.4800109

Multi-species dynamical density functional theory

B.D. Goddard, A. Nold, S. Kalliadasis

School of Mathematics

Research output: Contribution to journal › Article › peer-review

Abstract

We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme based on spectral methods for integro-differential equations, demonstrate its excellent agreement with the full underlying Langevin equations. We utilise the DDFT formalism to elucidate the crucial effects of hydrodynamic interactions in multi-species systems.

Original language	English
Article number	144904
Journal	Journal of Chemical Physics
Volume	138
Issue number	14
DOIs	https://doi.org/10.1063/1.4800109
Publication status	Published - 14 Apr 2013

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10.1063/1.4800109

11-GNK-JCPFinal published version, 1.34 MB

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title = "Multi-species dynamical density functional theory",

abstract = "We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme based on spectral methods for integro-differential equations, demonstrate its excellent agreement with the full underlying Langevin equations. We utilise the DDFT formalism to elucidate the crucial effects of hydrodynamic interactions in multi-species systems.",

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N2 - We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme based on spectral methods for integro-differential equations, demonstrate its excellent agreement with the full underlying Langevin equations. We utilise the DDFT formalism to elucidate the crucial effects of hydrodynamic interactions in multi-species systems.

AB - We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme based on spectral methods for integro-differential equations, demonstrate its excellent agreement with the full underlying Langevin equations. We utilise the DDFT formalism to elucidate the crucial effects of hydrodynamic interactions in multi-species systems.

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Multi-species dynamical density functional theory

Abstract

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Fluid structure in the immediate vicinity of an equilibrium three-phase contact line and assessment of disjoining pressure models using density functional theory

Unification of dynamic density functional theory for colloidal fluids to include inertia and hydrodynamic interactions: Derivation and numerical experiments

General dynamical density functional theory for classical fluids

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Multi-species dynamical density functional theory

Abstract

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Research output

Fluid structure in the immediate vicinity of an equilibrium three-phase contact line and assessment of disjoining pressure models using density functional theory

Unification of dynamic density functional theory for colloidal fluids to include inertia and hydrodynamic interactions: Derivation and numerical experiments

General dynamical density functional theory for classical fluids

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2DChebClass

Cite this