Background and recent progress in using detailed chemical kinetics for numerical combustion modeling

Invited seminar given in the Department of Aerospace Engineering at Texas A&M University.

Accurate simulations of combustion require finite-rate, multi-step models of chemical kinetics, particularly when investigating transient phenomena like ignition and extinction. However, detailed models present computational challenges for high-fidelity combustion simulations. In this talk I will describe how modern combustion and reacting-flow simulations represent chemical kinetics, and discuss the challenges of using accurate, detailed kinetic models. In particular, the large sizes of chemical reaction models for the oxidation of liquid transportation fuels present significant computational difficulties. I will also review techniques for accommodating large, detailed kinetic models in numerical combustion simulations, including model reduction/simplification, tabulation, and use of improved integration algorithms. Finally, I will present some perspectives for the future of chemical kinetics in numerical combustion