2003/04/20 by Riccardo Fantoni, R. Fantoni, G. Pastore · 1 citation
Chemical Engineering · Engineering · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Phase Equilibria and Thermodynamics #Thermodynamic properties of mixtures #cond-mat
paper · pdf · doi:10.1063/1.1590642
published as J. Chem. Phys. 119, 3810 (2003) · 27 pages, 5 figures
arxiv created 2003/04/20 · openalex publication_date 2003/08/01 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We discuss and illustrate through numerical examples the relations between generating functionals, thermodynamic consistency (in particular the virial-free-energy one), and uniqueness of the solution in the integral equation theory of liquids. We propose an approach for deriving closures automatically satisfying such characteristics. Results from a first exploration of this program are presented and discussed.