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Monte Carlo simulation and theoretical calculation of the thermodynamic properties of binary hard-core Lennard-Jones fluid mixtures

Abstract: The thermodynamic properties of binary hard-core Lennard-Jones fluid mixtures have been obtained by Monte Carlo simulation for different compositions, maximum well depths, hard-core diameter ratios and temperatures. These data are used in combination with a one-fluid theory based on perturbation theory to analyse the performance of several theoretically based mixing rules proposed in the literature. Two new theoretically based density- and temperature-dependent mixing rules are proposed. The new mixing rules provide better agreement with simulations than those previously proposed, especially for very asymmetric mixtures at low temperatures.

Otras publicaciones de la misma revista o congreso con autores/as de la Universidad de Cantabria

 Fuente: Molecular Simulation, 46:14, 1116-1124

Editorial: Gordon and Breach Publishing Group

 Fecha de publicación: 01/08/2020

Nº de páginas: 9

Tipo de publicación: Artículo de Revista

 DOI: 10.1080/08927022.2020.1806264

ISSN: 0892-7022,1029-0435

Url de la publicación: https://doi.org/10.1080/08927022.2020.1806264

Autores/as

AKHOURI, B. P.