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- W2009987272 abstract "Vapor-liquid, vapor-solid and liquid-solid coexistence lines are calculated for binary mixtures of Lennard-Jones spheres using Monte Carlo simulation and the Gibbs-Duhem integration technique. Complete phase diagrams showing equilibrium between vapor, liquid and solid phases are constructed for binary Lennard-Jones mixtures with diameter ratios ranging from σ11 /σ22 = 0.85–1.0 and attractive well-depth ratios ranging from ϵ11/ϵ22 = 0.625−1.6, at a reduced pressure P*≡Pσ/ϵ11 = 0.002. The Lorentz-Berthelot combining rules are used to calculate the cross-species interaction parameters σ12 and ϵ12. The variation in the shape of the complete phase diagrams change as a function of the diameter ratio σ11 /σ22 and well-depth ratio ϵ11 /ϵ22 is systematically explored. The phase diagrams found here resemble those found experimentally for argon-methane, iodine-sulfur, water-sodium chloride, water-silver nitrate, water-potassium nitrate, and p-dichlorobenzene-p-dibromobenzene." @default.
- W2009987272 created "2016-06-24" @default.
- W2009987272 creator A5047343110 @default.
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- W2009987272 date "2001-07-01" @default.
- W2009987272 modified "2023-10-17" @default.
- W2009987272 title "Molecular simulation of complete phase diagrams for binary mixtures" @default.
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- W2009987272 doi "https://doi.org/10.1002/aic.690470718" @default.
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