Extended dynamical density functional theory for nonisothermal binary systems including momentum density

Michael te Vrugt; Hartmut Löwen; Helmut R. Brand; Raphael Wittkowski

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arXiv · 2603.04973

Extended dynamical density functional theory for nonisothermal binary systems including momentum density

Michael te Vrugt·Hartmut Löwen·Helmut R. Brand·Raphael Wittkowski

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Abstract

In order to describe the nonisothermal dynamics of two-phase flows or binary mixtures such as colloidal suspensions consisting of colloidal particles and solvent on a microscopic level, we derive a new extended dynamical density functional theory (EDDFT) that includes the total mass density, the local concentration of one species, the total momentum density, and the energy density as variables using the Mori-Zwanzig-Forster projection operator technique. Through the incorporation of the momentum density into EDDFT, not only the diffusive but also the convective dynamics is taken into account. We derive an exact entropy and free-energy functional for the case of hard spheres. The hydrodynamic limit of our new EDDFT and its relation to the mode-coupling theory of the glass transition are discussed. It is shown that EDDFT allows to obtain the correct value for the speed of sound.

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Michael te Vrugt, Hartmut Löwen, Helmut R. Brand, Raphael Wittkowski. 2026-03-05. Extended dynamical density functional theory for nonisothermal binary systems including momentum density. https://arxiv.org/abs/2603.04973

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