@article{galbraith_hall_2007, title={Solid-liquid phase equilibria for mixtures containing diatomic Lennard-Jones molecules}, volume={262}, DOI={10.1016/j.fluid.2007.07.064}, abstractNote={Solid—liquid phase diagrams are calculated for systems containing pure Lennard–Jones dumbbell molecules and their mixtures. We begin by calculating the equations of state for systems containing C2H6, CO2 and F2, all of which are modeled by a two-center Lennard–Jones potential for linear diatomic molecules. We then use the Frenkel–Ladd thermodynamic integration method to calculate the free energies. The equations of state and the free energies are used to obtain solid–liquid coexistence points which are needed to start the Gibbs–Duhem integration. The solid–liquid phase equilibria for pure C2H6, CO2 and F2 and binary mixtures of Lennard–Jones dumbbells are predicted using the Gibbs–Duhem integration method. We investigate the effects of molecular size and intermolecular attractions on the solid–liquid phase diagrams of binary Lennard–Jones mixtures.}, number={1-2}, journal={Fluid Phase Equilibria}, author={Galbraith, A. L. and Hall, Carol}, year={2007}, pages={1–13} }
 @article{galbraith_hall_2006, title={Vapor-liquid phase equilibria for mixtures containing diatomic Lennard-Jones molecules}, volume={241}, ISSN={["1879-0224"]}, DOI={10.1016/j.fluid.2005.12.026}, abstractNote={Vapor–liquid phase diagrams are calculated for binary mixtures of diatomic Lennard–Jones molecules using Monte Carlo simulations and the Gibbs–Duhem integration method. We explore the effects of varying the molecular size ratio, intermolecular attraction parameter ratio and binary interaction parameter on the mixture’s phase behavior. We plot pressure versus composition vapor–liquid phase diagrams for the binary mixtures O2–N2 ,C O 2–C2H6 and N2–C2H6 at different temperatures. Our results are in good agreement with experimental data, especially away from the critical point. Adding a quadrupole term to the two-center Lennard–Jones (2CLJ) potential model further improves the agreement with experimental data. We also investigate the dependence of Henry’s constant on temperature, pressure and binary interaction parameter. © 2006 Elsevier B.V. All rights reserved.}, number={1-2}, journal={FLUID PHASE EQUILIBRIA}, author={Galbraith, AL and Hall, CK}, year={2006}, month={Mar}, pages={175–185} }