Tangential stretching rate analysis of DRGEP-based automated target species selection dynamic adaptive chemistry method

Abstract

Automated target species selection dynamic adaptive chemistry (automated DAC) based on the directed relation graph with error propagation is a dynamic mechanism reduction method that can alleviate the huge computational overhead of high-precision large eddy simulations. However, the accuracy of this algorithm is often assessed based on the temperature and ignition delay time, which are a posteriori results and do not reflect the physicochemical nature. Because of this, we proposed a new criterion based on the tangential stretching rate (TSR) value to study the automated DAC method from the perspective of chemical reactions, which can characterize the most energetic reaction mode. First, we tested the new criterion by applying it to the analyses of the simulations adopting the detailed mechanism and automated DAC. The results verified the performance of the new criterion and showed that a new TSR value oscillation error phenomenon was discovered by it. This error is caused by the inappropriate cut-off of the important species and chemical reactions in the DAC-generate skeleton mechanisms. Second, we studied the measures to eliminate this newly emerged error. We found that reducing the search threshold, increasing the number of target species of the automated DAC method, and modifying the automated DAC to the time-correlated automated DAC by adding a time correlation term can alleviate this TSR value oscillation error. In addition, constant pressure autoignition simulations of methane/air were implemented to support this study. The TSR-computational singular perturbation participation indices were also introduced for assistance.