Free-energy functional of the Debye-Hückel model of simple fluids.

Phys Rev E

Laboratoire "Interactions, Dynamiques et Lasers", UMR 9222, CEA-CNRS-Université Paris-Saclay, Centre d'Études de Saclay, F-91191 Gif-sur-Yvette Cedex, France.

Published: December 2016

The Debye-Hückel approximation to the free energy of a simple fluid is written as a functional of the pair correlation function. This functional can be seen as the Debye-Hückel equivalent to the functional derived in the hypernetted chain framework by Morita and Hiroike, as well as by Lado. It allows one to obtain the Debye-Hückel integral equation through a minimization with respect to the pair correlation function, leads to the correct form of the internal energy, and fulfills the virial theorem.

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http://dx.doi.org/10.1103/PhysRevE.94.062128DOI Listing

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