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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.

Ducted Fuel Injection (DFI) is a new technology recently developed with the aim of reducing soot emission formation in diesel compression ignition engines. DFI concept consists of the injection of fuel spray through a small duct located downstream of the injector nozzle leaving a certain gap, the so-called Stand-off distance. Currently, CFD modelers have investigated its performance using classical spray modeling techniques such as the Discrete Drops Method (DDM). However, as discussed in the literature, this type of technique is inappropriate when applied to dense jets as those occurring in diesel sprays, especially in the near-nozzle region (where the duct is placed). Therefore, considering a more appropriate modeling technique for such a problem is mandatory. In this research work, an Eulerian single-fluid diffuse-interface model called Σ-Y and implemented in the OpenFOAM framework is utilized for the simulation of non-reacting conditions.

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.

Spray modeling techniques have evolved from the classic DDM (Discrete Drops Method) approach, where the continuous liquid jet is discretized into “drops” or “parcels” till advanced spray models often based on Eulerian approaches. The former technique, although computationally efficient, is essentially inadequate in highly dense jets, as in the near nozzle region of compression ignition engines, while the latter could lead to extreme levels of computational effort when resolved interface capturing methods, such as VoF (Volume of Fluids) and LS (Level-Set) types, are used. However, in a typical engineering calculation, the mesh resolution is considerably coarser than in these high fidelity computations. If one presumes that these interfacial details are far smaller than the mesh size, smoothing features over at least one cell ultimately results in a diffuse-interface treatment in a Eulerian framework.

The dense spray region in the near-field of diesel fuel injection remains an enigma. This region is difficult to interrogate with light in the visible range and difficult to model due to the rapid interaction between liquid and gas. In particular, modeling strategies that rely on Lagrangian particle tracking of droplets have struggled in this area. To better represent the strong interaction between phases, Eulerian modeling has proven particularly useful. Models built on the concept of surface area density are advantageous where primary and secondary atomization have not yet produced droplets, but rather form more complicated liquid structures. Surface area density, a more general concept than Lagrangian droplets, naturally represents liquid structures, no matter how complex. These surface area density models, however, have not been directly experimentally validated in the past due to the inability of optical methods to elucidate such a quantity.