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Equilibrium thermodynamic properties of Lennard–Jones fluid mixtures from a single-component effective fluid model

Abstract: The equilibrium thermodynamic properties of binary Lennard?Jones mixtures are determined by means of a Monte Carlo-based perturbation theory for an effective single-component fluid. The results for the equation of state and the excess energy are compared with simulation data obtained for two equimolar binary Lennard?Jones fluid mixtures at different temperatures along a wide range of densities. The satisfactory accuracy achieved seems to suggest that this approach might be a useful tool to deal with mixtures with a wide variety of intermolecular interactions including mixtures of real fluids.

 Autoría: Akhouri B.P., Solana J.R.,

 Fuente: Molecular Simulation, 2023, 49(11), 1117-1124

 Editorial: Gordon and Breach Publishing Group

 Año de publicación: 2023

 Nº de páginas: 12

 Tipo de publicación: Artículo de Revista

 DOI: 10.1080/08927022.2023.2219751

 ISSN: 0892-7022,1029-0435

 Url de la publicación: https://doi.org/10.1080/08927022.2023.2219751