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Abstract: Extensive Monte Carlo simulations have been performed to obtain the thermodynamic properties of binary square-well mixtures for different compositions, well depths, hard-core diameter ratios and temperatures. They are used in combination with a one-fluid theory based on perturbation theory to analyse the performance of several mixing rules proposed in the literature. A new density- and temperature-dependent mixing rule is proposed. The new mixing rule provides better agreement with simulations than those previously proposed, especially for very asymmetric mixtures.
Authorship: Akhouri B.P., Solana J.R.,
Fuente: Molecular Simulation, 2020, 46(2), 102-110
Publisher: Gordon and Breach Publishing Group
Publication date: 01/01/2020
No. of pages: 9
Publication type: Article
DOI: 10.1080/08927022.2019.1677903
ISSN: 0892-7022,1029-0435
Publication Url: https://doi.org/10.1080/08927022.2019.1677903
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AKHOURI, B. P.
JOSE RAMON SOLANA QUIROS
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