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Solid-Liquid Equilibrium Prediction for Binary Mixtures of Ar, O2, N2, Kr, Xe, and CH4 using the LJ-SLV-EoS

Abstract : In a previous paper, authors used molecular simulation data for Lennard-Jones fluids for the regression of the binary interaction parameters of the LJ-SLV-EoS. The binary interaction parameters of the EoS have been expressed as simple functions of the ratios σ11/σ22 and ε11/ε22. This procedure allows obtaining a qualitative prediction of the solid-liquid phase behavior of mixtures composed of simple fluids. This work presents the predicted phase diagrams including solid phases for binary mixtures composed of argon, oxygen, nitrogen, krypton, xenon, and methane. Predictions are in qualitative agreement with the phase behavior documented by the experimental data available from the literature. The adopted procedure allows producing a qualitative reasonable phase diagram for mixtures knowing the Lennard-Jones parameters of the mixture components. The comparison with literature data shows that the adopted procedure is suitable for predicting the solid-liquid behavior of the mixture, distinguishing among eutectic, solid solution, solid-liquid azeotrope.
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Submitted on : Tuesday, September 23, 2014 - 11:10:17 AM
Last modification on : Thursday, September 24, 2020 - 4:36:08 PM
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Marco Campestrini, Paolo Stringari, Philippe Arpentinier. Solid-Liquid Equilibrium Prediction for Binary Mixtures of Ar, O2, N2, Kr, Xe, and CH4 using the LJ-SLV-EoS. Fluid Phase Equilibria, Elsevier, 2014, 379, pp.139-147. ⟨10.1016/j.fluid.2014.07.020⟩. ⟨hal-01067216⟩

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