The vital role of simulations and computational insights in reducing pollutant emissions, designing better engines and better fuels, and assessing the technical and economic viability of radically different combustion technologies, is now clearly established. A key enabling step is the development of computational approaches that allow our increasingly detailed knowledge of the chemical kinetics of realistic fuel oxidation to be applied to the modeling and simulation of combustion reactors. In this talk, I will briefly review the challenges associated with the integration of detailed chemical kinetics in reactive flow simulations. I will then discuss the progress we have made in the analysis and reduction of complex kinetic networks, with a focus on graph-based techniques and the characteristics of the stand-alone reduced models they typically generate. Using Large-Eddy Simulations of turbulent flames as case study, I will show how these techniques are enhanced through careful integration and coupling with CFD tools, wherein the flow characteristics adaptively inform the reduced chemical model to be used. I will conclude on the remaining challenges still to overcome, and potential avenues to do so.
Sibley School of Mechanical and Aerospace Engineering, Cornell University
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