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The goal of mitigating climate change has driven research to the use of carbon-free energy sources. In this regards, green hydrogen appears as one of the best options, however, its storage remains difficult and expensive. Indeed, there is room to consider the use of ammonia (an efficient hydrogen carrier) directly as a fuel for internal combustion engines or gas turbines. Currently, there are very few works in the literature describing liquid ammonia sprays, both from experimental and modeling point of view, and especially dealing with flash-boiling conditions. In this research work, the direct injection ammonia spray is modeled with the Lagrangian particle approach, building up a numerical model within the OpenFOAM framework, for transient analyses using the U-RANS approach.

In order to understand supercritical jet flows further, well resolved large eddy simulations (LES) of a n-dodecane jet mixing with surrounding nitrogen are conducted. A real fluid thermodynamic model is used to account for the fuel compressibility and variable thermophysical properties due to the solubility of ambient gas and liquid jet using the cubic Peng-Robinson equation of state (PR-EOS). A molar averaged homogeneous mixing rule is used to calculate the mixing properties. The thermodynamic model is coupled with a pressure-based solver to simulate multispecies reacting flows. The numerical model is based on a second order accurate method implemented in the open source OpenFOAM-6 software. First, to evaluate the present numerical model for sprays, 1D advection and shock tube benchmark problems at supercritical conditions are shown.