We further elaborate on the generalized formulation for cubic equation of state proposed by Cismondi and Mollerup [Fluid Phase Equilib. 232, 74–89 (2005)]. With this formulation, all well-known cubic equations of state can be described with a certain pair of values, which allow for a generic implementation of different equations of state. Based on this generalized formulation, we derive a complete thermodynamic model for computational fluid dynamics simulations by providing the resulting correlations for all required thermodynamic properties. For the transport properties, we employ the Chung correlations. Our generic implementation includes the often used equations of state Soave–Redlich–Kwong and Peng–Robinson and the Redlich–Kwong–Peng–Robinson equation of state. The first two assume a universal critical compressibility factor and are, therefore, only suitable for fluids with a matching critical compressibility. The Redlich–Kwong–Peng–Robinson overcomes this limitation by considering the equation of state parameter as a function of the critical compressibility. We compare the resulting thermodynamic modeling for the three equations of state for selected fluids with each other and CoolProp reference data. Additionally, we provide a Python tool called real gas thermodynamic python library (realtpl). This tool can be used to evaluate and compare the results for a wide range of different fluids. We also provide an implementation of the generalized form in OpenFOAM.

In this paper, we investigate two-dimensional direct numerical simulations of a transcritical shear layer. Three configurations are chosen, which are distinguished by the level of presence of two-phase phenomena. The thermodynamic model is based on a cubic equation of state. It was extended for multicomponent mixtures, and it is able to account for vapor–liquid equilibrium. The thermodynamic modeling with phase-transition is validated using experimental data from the literature. Special focus is put on the effect of the density gradient and the density changes caused by phase-transition on the development of the turbulent shear layer and the associated mixing. In addition to this, the vorticity distribution and the components of its transport equation are analyzed and compared for the different configurations.

Mixing under high pressure conditions plays a central role in several engineering applications, such as direct-injection engines and liquid rocket engines. Numerical flow simulations have become a complementary tool to study the mixing process under these conditions but require complex thermodynamic modeling as well as validation with accurate experimental data. For this reason, we use experiments of supercritical single-phase jet mixing from the literature, where the mixing is quantified by the mixture speed of sound, as a reference for our work. We here focus on the thermodynamic modeling of multi-component flows under high pressure conditions and the analytical calculation of the mixture speed of sound. Our thermodynamic model is based on cubic equations of state extended for multi-components. Using an extension of OpenFOAM, we perform large-eddy simulations of hexane and pentane injections and compare our results with the experimentally measured mixture speed of sound at specific positions. The simulation results show the same characteristic trends, indicating that the mixing effects are well reproduced in the simulations. Additionally, the effect of the sub-grid scale modeling is assessed by comparing results using different models (Smagorinsky, Vreman, and Wall-Adapting Local Eddy-viscosity). The comprehensive simulation data presented here, in combination with the experimental data, provide a benchmark for numerical simulations of jet mixing in high pressure conditions.