Characteristic Chemical Time Scales for Reactive Flow Modeling

Abstract

ABSTRACT The chemical time scale can be used to characterize a reactive system(’s behavior). In addition, various dimensionless numbers (e.g. Damköhler number) rely on a characteristic chemical time scale. The inverse eigenvalues of a system are regarded as the system’s time scales. This means, the number of time scales is equal the numbers of eigenvalues. A formulation for a single characteristic time scale is required for the system characterization and to calculate dimensionless numbers. Recently proposed modifications of the Eddy Dissipation Concept (a turbulence-chemistry interaction model) also incorporate the Damköhler number in their formulation. Besides accuracy, the numerical efficiency is important, since the chemical time scale needs to be computed in each cell at every time step. We present different chemical time scale definitions found in literature, evaluate them on simple test problems and use them for flame simulations in conjunction with the modified Eddy Dissipation Concept. For the simple test case, most formulations give satisfactory results. The complexity of the chemical reaction mechanism greatly impacts the calculated time scale values. Therefore, we suggest to use a simple global mechanism for the calculation of chemical time scales to ensure reproducibility and consistency of the results.