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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.
Authorship: Akhouri B.P., Solana J.R.,
Fuente: Molecular Simulation, 2020, 46(14), 1116-1124
Publisher: Gordon and Breach Publishing Group
Publication date: 01/08/2020
No. of pages: 9
Publication type: Article
DOI: 10.1080/08927022.2020.1806264
ISSN: 0892-7022,1029-0435
Publication Url: https://doi.org/10.1080/08927022.2020.1806264
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AKHOURI, B. P.
JOSE RAMON SOLANA QUIROS
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