Abstract
AbstractVapor‐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.
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