Computer simulation results for thermodynamic excess properties in fluid mixtures

摘要: This paper reports results from isothermal-isobaric molecular dynamics simulations of binary mixtures Lennard-Jones fluids. The were performed at several component size ratios in the range 1 ˇ- σ BB /σ AA 2 and three pressures. principal reported here are excess Gibbs free energies g E, volumes v enthalpies h E. These new do not coincide with previous because extensive pressure ranges studied accuracy attained values for simulation data used to test a recent revision thermodynamic perturbation theory based on hard-sphere mixtures.