MMC-LES of spray combustion: Analysis of mixing timescales and flame structure

Abstract

Large-eddy simulations (LES) of turbulent, pilot-stabilised, dilute acetone spray flames are performed using the sparse-Lagrangian multiple mapping conditioning approach (MMC-LES). The primary objective of this work is to assess the adaptability of the recently proposed dynamically evaluated molecular mixing timescale model for MMC-LES (Sharma et al., 2022, A fully dynamic mixing timescale model for the sparse Lagrangian multiple mapping conditioning approach, Combustion and Flame, 238, 111872), referred to as the dyn-aISO model, to the non-reacting and reacting two-phase flows. This work is the first application to perform a dynamic evaluation of the mixing timescale for turbulent spray combustion using the transported filtered density function (FDF) approach. A non-reacting case and four reacting flames with varying fuel mass loading are investigated, where the flame transitions from a diffusion flame to a premixed flame structure with a decrease in fuel loading. As is conventional for MMC-LES, a sparse resolution of one stochastic particle per six Eulerian finite-volume cells is used in this study, offering a much cheaper computing expense than the conventional transported FDF approach. The liquid evaporation is represented based on a non-equilibrium model at the droplet surface. The reaction chemistry is based on an augmented GRI 3.0 mechanism containing 39 species and 226 reactions to represent the oxidation of acetone. Predictions with the dyn-aISO model are compared with the constant coefficient anisotropic mixing time scale model and the isotropic C-K model. Thorough validation of liquid-phase statistics and gas-phase temperature is performed with available experimental data and popular studies from the literature. Analysis of the flame structure, with different timescale models, for both non-premixed and premixed type flames is also carried out. Quantification of the parameters affecting the timescale, such as model constants of the sub-Lagrangian-grid scale (slgs) mixture fraction variance (Cf) and its scalar dissipation rate (Scsgs−1Cν) is provided in comparison to their conventionally chosen static coefficient values. Predictions with the dyn-aISO model are quite good for the diffusion-type flames, while some discrepancies are noticed while predicting a premixed flame structure for lower liquid loading case having near stoichiometric jet-exit mixture composition.