A unified framework for dynamic density functional and Lattice Boltzmann methods

Details A unified framework for dynamic density functional and Lattice Boltzmann methods A unified framework for dynamic density functional and Lattice Boltzmann methods

2009-02-23

arxiv.org/abs/0902.3694v1

Physics

Condensed Matter

Statistical Mechanics

29 pages

Scientific paper

Using methods of kinetic theory and liquid state theory we propose a description of the non-equilibrium behavior of molecular fluids which takes into account their microscopic structure and thermodynamic properties. The present work represents an alternative to the recent dynamic density functional theory which can only deal with colloidal fluids and is not apt to describe the hydrodynamic behavior of a molecular fluid. The method is based on a suitable modification of the Boltzmann transport equation for the phase space distribution and provides a detailed description of the local structure of the fluid and of the transport coefficients under inhomogeneous conditions. Finally, we propose a practical scheme to solve numerically and efficiently the resulting kinetic equation by employing a discretization procedure analogous to the one used in the Lattice Boltzmann method.

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