@article{lamm_hall_2004, title={Effect of pressure on the complete phase behavior of binary mixtures}, volume={50}, ISSN={["1547-5905"]}, DOI={10.1002/aic.10020}, abstractNote={AbstractUsing Gibbs‐Duhem integration and semigrand canonical Monte Carlo simulations, temperature vs. composition phase diagrams for a binary Lennard‐Jones mixture, σ11/σ22 = 0.85 and ϵ11/ϵ22 = 1.6, are calculated at several reduced pressures in order to examine the effects of pressure on complete phase behavior (that is, equilibrium between vapor, liquid, and solid phases). Interference is observed between the vapor–liquid and solid–liquid coexistence regions at the lowest pressure. As the pressure increases, the vapor–liquid coexistence region shifts to higher temperatures, while the solid–liquid coexistence region remains essentially unaffected. Eventually, the vapor–liquid coexistence region lifts off the solid–liquid coexistence region, ending the interference. Pressure vs. temperature projections for binary Lennard‐Jones mixtures at σ11/σ22 = 0.85, 0.9, and 0.95, and ϵ11/ϵ22 = 0.45 and 1.6 are also presented to explore how the three‐phase loci (solid–liquid–vapor and solid–solid–liquid) change with variations in diameter ratio and well‐depth ratio. It is found that as the diameter ratio decreases, the maximum pressure in the solid–liquid–vapor locus decreases and the characteristic shape of the solid–liquid coexistence region changes from peritectic to eutectic. As the well‐depth ratio decreases, the maximum pressure in the solid–liquid–vapor locus increases. For one mixture, σ11/σ22 = 0.9 and ϵ11/ϵ22 = 1.6, a quadruple point of solid–solid–liquid–vapor coexistence is located. © 2004 American Institute of Chemical Engineers AIChE J, 50: 215–225, 2004}, number={1}, journal={AICHE JOURNAL}, author={Lamm, MH and Hall, CK}, year={2004}, month={Jan}, pages={215–225} } @article{lamm_hall_2002, title={Equilibria between solid, liquid, and vapor phases in binary Lennard-Jones mixtures}, volume={194}, ISSN={["0378-3812"]}, DOI={10.1016/s0378-3812(01)00650-1}, abstractNote={We have used Monte Carlo simulation and the Gibbs–Duhem integration technique to calculate temperature–composition and pressure–temperature phase diagrams for binary Lennard–Jones mixtures. We systematically explore Lennard–Jones parameter space to demonstrate how the features of these phase diagrams change as a function of diameter ratio, well-depth ratio, binary interaction parameter, and pressure. We find a number of cases in which the vapor–liquid and liquid–liquid equilibria become metastable with respect to the solid–liquid and solid–vapor equilibria.}, number={2002 Mar 30}, journal={FLUID PHASE EQUILIBRIA}, author={Lamm, MH and Hall, CK}, year={2002}, month={Mar}, pages={197–206} }