Fundamental equation of state for mixtures of nitrogen, oxygen, and argon based on molecular simulation data

Abstract

A fundamental equation of state in terms of the Helmholtz energy is presented for mixtures of nitrogen, oxygen, and argon at any composition. It is expressed in terms of the residual Helmholtz energy and can be used to calculate all thermodynamic equilibrium properties including vapor–liquid equilibria. The parameters of the equations for the pure-fluid and mixture contributions are fitted exclusively to molecular simulation data so that the model has a predictive character. The description of the mixture-specific reducing parameters is realized via generalized correlations of the critical parameters of the pure fluids so that an extension of the model to additional components can be implemented straightforwardly. Extensive comparisons to experimental data and the GERG-2008 reference equation of state show that the prediction of thermodynamic properties is satisfactory.