Application of a theoretical equation-of-state model for calculating the thermodynamic parameters of NH3-H2 binary mixtures based on a modified Exp-6 intermolecular interaction potential

Abstract

The thermodynamic properties of pure ammonia and a NH3-H2 two-component mixture are calculated. The calculations are performed within the framework of the previously developed model of the equation-of-state (EOS) of a two-component mixture, which is also applicable to one-component gases. The model is based on a modified Buckingham’s Exp-6 potential for the polar ammonia molecule with allowance for dipole interactions. Comparison of the results of calculations within the framework of our EOS model and analytical EOS models proposed by other authors with the experimental data and the results of Monte Carlo simulations demonstrate that the proposed EOS model is a reliable tool for calculating the thermodynamic parameters of binary mixtures over a wide range of temperatures and pressures.