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Combustion, Explosion and Shock Waves

2022 year, number 1

Determination of the Phase Diagram of a Mixture of H2 + O2 Based on a Modified Van der Waals Model

A. B. Medvedev
All-Russian Research Institute of Experimental Physics, Russian Federal Nuclear Center, Sarov, 607188 Russia
Keywords: hydrogen, oxygen, phase diagram, binary mixture, pressure, temperature, density, concentration, van der Waals equation of state

Abstract

Due to the absence of experimental data for constructing the phase diagram of a liquid and gaseous mixture of hydrogen with oxygen, it is constructed by modeling. Model diagrams previously predicted (Deiters et al., 1993) by two methods (I and II) at pressures up to »100 MPa and a temperature up to »100 K have significant differences, which are considered by the authors as an approximate measure of the uncertainty of the knowledge of the real phase diagram of this mixture. In this paper, the phase diagram of a mixture of hydrogen with oxygen is determined using the previously proposed modified van der Waals model for individual and mixed compounds. Calculations were performed in two (A, B) variants differing in the binary interaction parameter. To control these variants, they were used to construct model diagrams of mixtures of hydrogen with nitrogen, argon, and methane for which there are experimental data in the range of pressures and temperatures comparable to those mentioned above for the mixture of hydrogen and oxygen. Variant B is more realistic as it is in better agreement with experiment compared with variant A. The phase diagram calculated by method B for a mixture of hydrogen with oxygen is close to the calculation by method I, which indicates that it is more realistic than method II.