Adaptive and convergent methods for large eddy simulation of turbulent combustion

In the recent past, LES methodology has emerged as a viable tool for modeling turbulent combustion. LES computes the large scale mixing process accurately, thereby providing a better starting point for small-scale models that describe the combustion process. Significant effort has been made over past decades to improve accuracy and applicability of the LES approach to a wide range of flows, though the current conventions often lack consistency to the problems at hand. To this end, the two main objectives of this dissertation are to develop a dynamic transport equation-based combustion model for large- eddy simulation (LES) of turbulent spray combustion and to investigate grid- independent LES modeling for scalar mixing. Long-standing combustion modeling approaches have shown to be suc- cessful for a wide range of gas-phase flames, however, the assumptions required to derive these formulations are invalidated in the presence of liquid fuels and non-negligible evaporation rates. In the first part of this work, a novel ap- proach is developed to account for these evaporation effects and the resulting multi-regime combustion process. First, the mathematical formulation is de- rived and the numerical implementation in a low-Mach number computational solver is verified against one-dimensional and lab scale, both non-reacting and reacting spray-laden flows. In order to clarify the modeling requirements in LES for spray combustion applications, results from a suite of fully-resolved direct numerical simulations (DNS) of a spray laden planar jet flame are fil- tered at a range of length scales. LES results are then validated against two sets of experimental jet flames, one having a pilot and allowing for reduced chemistry modeling and the second requiring the use of detail chemistry with in situ tabulation to reduce the computational cost of the direct integration of a chemical mechanism. The conventional LES governing equations are derived from a low-pass filtering of the Navier-Stokes equations. In practice, the filter used to derive the LES governing equations is not formally defined and instead, it is assumed that the discretization of LES equations will implicitly act as a low-pass filter. The second part of this study investigates an alternative derivation of the LES governing equations that requires the formal definition of the filtering operator, known as explicitly filtered LES. It has been shown that decoupling the filter- ing operation from the underlying grid allows for the isolation of subfilter-scale modeling errors from numerical discretization errors. Specific to combustion modeling are the aggregate errors associated with modeling sub-filter distribu- tions of scalars that are transported by numerical impacted turbulent fields. Quantities of interest to commonly-used combustion models, including sub- filter scalar variance and filtered scalar dissipation rate, are investigated for both homogeneous and shear-driven turbulent mixing.