VLE-based Phase Field Method to Simulate High-Pressure Diffuse Interface with Phase Change

Supercritical fluids, often present in modern high-performance propulsion systems, result from elevated operating pressures. When these systems utilize fluid mixtures as fuel or oxidizers, a transcritical effect often occurs. This effect can lead to misjudgments, as mixture critical points exceed those of individual components. Fluid mixing may induce phase separation, creating liquid and vapor phases due to the transcritical multi-component effect. Consequently, two-phase modeling is essential for transcritical and supercritical fluids. Traditional interface capturing methods, like Volume of Fluid (VOF) and Level Set (LS), present challenges such as computational expense and lack of conservatism. The Phase Field (PF) method, or the Diffuse Interface (DI) method which uses a phase fraction transport equation, emerges as a conservative alternative. Despite the absence of an initial interface in transcritical fluids, phase separation from mixing may form liquid droplets, necessitating multiphase modeling. To address these complexities, a Vapor-Liquid Equilibrium (VLE) model, coupled with the PR equation of state, is introduced. This model estimates phase fractions, liquid and vapor compositions, densities, and enthalpies through a flash problem solution. The conventional PF model is enhanced by replacing the phase fraction transport equation with VLE-derived values. The resulting VLE-based PF method is implemented into an OpenFOAM compressible solver, ensuring numerical stability with explicit phase field terms and a new CFL criterion. Test cases involve 1D interface convection and 2D droplet convection. In the 1D test, the VLE-based PF model adeptly captures interfaces, adjusting thickness as needed. The 2D droplet case, challenging due to a non-aligned Cartesian grid, exhibits uniform interface thickness and preserves droplet shape. The VLE-based PF model demonstrates versatility and reliability in capturing complex fluid behaviors, offering promising prospects for future research.