Adjoint-based sensitivity analysis of flames

Simulation of chemically reacting flows using detailed chemistry introduces a large number of chemistry model parameters. While not all significantly affect the target outcomes of a simulation, the parameters that do are not always known a priori. In order to improve simulations for specified target outcomes, termed quantities of interest (QoIs), the sensitivity of these QoIs to the model parameters are needed. However, evaluating the sensitivities is computationally expensive, especially for complex fuels that may involve many parameters. For these simulations, the forward sensitivity method requires the solution of an additional number of governing equations proportional to the number of parameters. Here, an adjoint sensitivity approach is formulated where the computational cost scales as the number of QoIs and not the number of parameters. Specifically, adjoint equations are derived for laminar, incompressible, variable density reacting flow and applied to hydrogen flame simulations. From the solution of the corresponding adjoint equations, sensitivity of the QoIs to chemistry model parameters is calculated. The one-dimensional simulation results show that the adjoint sensitivity results closely match those of forward sensitivity methods, thus providing validation of the adjoint method. The two-dimensional simulation results indicate the most sensitive parameters for two QoIs, flame tip temperature and NOx emission. For these tests, the adjoint method reduces computational expense compared to forward sensitivity methods by a factor proportional to the number of QoIs over the number of parameters, here 2/172. Such savings can be more drastic for cases that involve complex fuels, such as combustion of jet fuel, requiring thousands of chemistry model parameters. Further, this sensitivity information can be used in development of experiments by pointing out which are the critical chemistry model parameters.