An On-Grid Dynamic Multi-Timescale Method with Path Flux Analysis for Multi-Physics Detailed Modeling of Combustion

Abstract

Combustion is a kinetic and multi-physical-chemical process involving many time and length scales from atomic excitation to turbulent mixing. This paper presents an overview of the recent progress of numerical modeling using detailed and reduced chemical kinetic mechanisms for multi-scale combustion problems. A particular focus of this review is to introduce two new methods, an on-grid dynamic multi-time scale (MTS) method and a path flux analysis (PFA) to increase the computation efficiency involving multi-physical chemical processes using large kinetic mechanisms. Firstly, the methodology of the on-grid dynamic MTS method using the instantaneous time scales of different reaction groups is introduced. The definition of species timescales and the algorithm to generate species groups are presented. Secondly, a concept of hybrid multi-time scale (HMTS) method to selectively remove time histories of uninterested fast modes is introduced to increase the algorithm flexibility and efficiency. The efficiency and the robustness of the MTS and HMTS methods are demonstrated by comparing with the Euler and ODE solvers for ignition and flame propagation of hydrogen, methane, and n-decane-air mixtures. Thirdly, the PFA method to generate a comprehensive reduced mechanism by using the reaction path fluxes in multiple generations is summarized. The results are compared with that of the direct relation graph (DRG) method for n-decane and n-heptane-air ignition delay time. The PFA method shows a significant improvement in the accuracy of mechanism reduction over the DRG method in a broad range of species number and physical properties. Finally, the PFA method is integrated with MTS and HMTS methods to further increase the computation efficiency of combustion with large mechanisms. The new algorithm is used to predict unsteady flame propagation of n-decane-air mixtures in a spherical chamber. Excellent computation accuracy and efficiency are demonstrated.