Sub-grid models for Large Eddy Simulation of non-conventional combustion regimes

Novel combustion technologies ensuring low emissions, high efficiency and fuel flexibility are essential to meet the future challenges associated to air pollution, climate change and energy source shortage, as well as to cope with the increasingly stricter environmental regulation. Among them, Moderate or Intense Low oxygen Dilution (MILD) combustion has recently drawn increasing attention. MILD combustion is achieved through the recirculation of flue gases within the reaction region, with the effect of diluting the reactant streams. As a result, the reactivity of the system is reduced, a more uniform reaction zone is obtained, thus leading to decreased NO x and soot emissions. As a consequence of the dilution and enhanced mixing, the ratio between the mixing and chemical time scale is strongly reduced in MILD combustion, indicating the existence of very strong interactions between chemistry and fluid dynamics. In such a context, the use of combustion models that can accurately account for turbulent mixing and detailed chemical kinetics becomes mandatory. Combustion models for conventional flames usually rely on the assumption of time-scale separation (i.e., flamelets and related models), which constrain the thermochemical space accessible in the numerical simulation. Whilst the use of transported PDF methods appears still computationally prohibitive, especially for practical combustion systems, there are a number of closures showing promise for the inclusion of detailed kinetic mechanisms with affordable computational cost. They include the Partially Stirred Reactor (PaSR) approach and the Eddy Dissipation Concept (EDC) model. In order to assess these models under non-conventional MILD combustion conditions, several prototype burners were selected. They include the Adelaide and Delft jet-in-hot-coflow (JHC) burners, and the Cabra lifted flames in vitiated coflow. Both Reynolds Averaged Navier Stokes (RANS) and Large Eddy Simulations (LES) were carried out on these burners under various operating conditions and with different fuels. The results indicate the need to explicitly account for both the mixing and chemical time scales in the combustion model formulation. The generalised models developed currently show excellent predictive capabilities when compared with the available, high-fidelity experimental data, especially in their LES formulations. The advanced approaches for the evaluation of the mixing and chemical time scale were compared to several conventional estimation methods, showing their superior performances and wider range of applications. Moreover, the PaSR approach was compared with the steady Flamelet Progress Variable (FPV) model on predicting the lifted Cabra flame, proving that the unsteady behaviours associated to flame extinction and re-ignition should be appropriately considered for such kind of flame. Because of the distributed reaction area, the reacting structures in MILD combustion can be potentially resolved on a Large Eddy Simulation (LES) grid. To investigate that, a comparative study benchmarking the LES predictions for the JHC burner obtained with the PaSR closure and two implicit combustion models was carried out, with the implicit models having filtered source terms coming directly from the Arrhenius expression. The results showed that the implicit models are very similar with the conventional PaSR model on predicting the flame properties, for what concerns the mean and root-mean-square of the temperature and species mass fraction fields. To alleviate the cost associated to the use of large kinetic mechanisms, chemistry reduction and tabulation methods to dynamically reduce their size were tested and benchmarked, allowing to allocate the computational resources only where needed. Finally, advanced post-processing tools based on the theory of Computational Singular Perturbation (CSP) were employed to improve the current understanding of flame-turbulence interactions under MILD conditions, confirming the important role of both autoignition and self propagation in these flames