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• W2038565525 abstract "In this article, we perform Gibbs ensemble Monte Carlo (GEMC) simulations of liquid-liquid phase coexistence in nonadditive hard-sphere mixtures (NAHSMs) for different size ratios and non-additivity parameters. The simulation data are used to provide a benchmark to a number of theoretical and mixed theoretical/computer simulation approaches which have been adopted in the past to study phase equilibria in NAHSMs, including the method of the zero of the Residual Multi-Particle Entropy, Integral Equation Theories (IETs), and classical Density Functional Theory (DFT). We show that while the entropic criterium is quite accurate in predicting the location of phase equilibrium curves, IETs and DFT provide at best a semi-quantitative reproduction of GEMC demixing curves." @default.
• W2038565525 created "2016-06-24" @default.
• W2038565525 creator A5043326797 @default.
• W2038565525 creator A5049259927 @default.
• W2038565525 date "2014-07-28" @default.
• W2038565525 modified "2023-10-06" @default.
• W2038565525 title "Gibbs ensemble Monte Carlo of nonadditive hard-sphere mixtures" @default.
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• W2038565525 doi "https://doi.org/10.1063/1.4890742" @default.
• W2038565525 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25084927" @default.
• W2038565525 hasPublicationYear "2014" @default.
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