Reaction Engineering International proposes to develop a chemistry sub-model for the incorporation of detailed chemical kinetic rates and equilibrium considerations into reacting flow models. The objectives of this project include demonstrating the feasibility of including chemical equilibrium considerations in a method designed to reduce chemical kinetic mechanisms, creating a chemistry tool that is accessible to a generic reacting flow model, and demonstrating the utility of the sub-model. It is the intent of the proposed research to develop a strategy through which the underlying physics of specific reaction processes can be extracted from detailed chemical kinetic and thermodynamic data, and subsequently used in reacting flow computations. The approach will not rely on partial equilibrium or steady-state assumptions and will allow one to accurately determine non-equilibrium levels of species. Furthermore, the chemical sub-model to be developed will accurately account for and be able to consider entities (or species) for which there is no chemical kinetic information.
