Investigation of a new method for direct chemistry integration in Conditional Source-term Estimation

Abstract

This paper examines a new Conditional Source-term Estimation (CSE) implementation in which an integral inversion is performed for species mass fractions without any chemistry tabulation. To tackle the numerical stiffness due to chemistry, a constant-pressure chemical reactor is considered in conditional space. The objective of this work is to investigate this new method in CSE by comparing its numerical performance (accuracy of predictions and computational efficiency) with previous CSE implementations using tabulated chemistry. For the first time, the constraints for mass and mixture fraction conservation in conditional space are included in the inversion process. The investigation is performed in a Reynolds Averaged Navier-Stokes (RANS) framework using a well-documented turbulent flame with detailed measurements in conditional and physical spaces for many reacting scalars. A chemical mechanism including 16 species and 35 reactions is incorporated. CSE predictions of conditional and Favre averaged temperature and different species mass fractions are analysed. CSE with full chemistry performs as well as CSE with tabulated chemistry, if not slightly better. Numerical errors are discussed. The new CSE implementation is made possible by the proposed numerical treatment of stiffness due to chemistry and first-order Tikhonov regularisation technique with additional physical constraints. The new approach is found to be more CPU intensive than CSE with a pre-tabulation technique, but as a preliminary analysis, the computational cost of CSE with direct integration of a chemical mechanism appears to be much smaller than the run time associated with CMC for a similar set-up. Further investigation is required to refine this initial conclusion. These results open new opportunities towards CSE simulations that involve fuel blends and more complex operating conditions for example with spray and multi-stream inlets with non-uniform compositions for which accurate chemistry tabulations are difficult to generate.