Computational diagnostics for reacting flows with global pathway analysis aided by chemical explosive mode analysis

Dezhi Zhou, Hongyuan Zhang, Suo Yang

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Due to the development of computational capability for reacting flows nowadays, more and more detailed and large-sized information and data are generated by reacting flow simulations. To extract meaningful information from these data sets, computational diagnostic methods are critical, especially when detailed chemistry with thousands of reactions are involved. In this study, in light of the methods of chemical explosive mode analysis (CEMA) and global pathway analysis (GPA), we proposed a hybrid CEMA-GPA method, the CEMA-aided GPA (CGPA) method, to not only understand the combustion modes and the contributing reactions and species, but also achieve a global representation of the chemical kinetics that contribute the most to the local explosiveness. Based on this newly-developed CGPA, a one dimensional (1D) premixed flame is firstly simulated and analyzed, showing that CGPA is able to capture the diffusion assisted ignition mode in this flame. More importantly, the global reaction pathways at different positions are identified and the reactions and radical production associated with the global pathways are extracted to understand the flame structure and chemical kinetics. A three dimensional (3D) piloted turbulent jet flame (Sandia Flame D) is then simulated and analyzed with CGPA.

Original languageEnglish (US)
Title of host publicationAIAA Scitech 2021 Forum
PublisherAmerican Institute of Aeronautics and Astronautics Inc, AIAA
Pages1-8
Number of pages8
ISBN (Print)9781624106095
StatePublished - 2021
EventAIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2021 - Virtual, Online
Duration: Jan 11 2021Jan 15 2021

Publication series

NameAIAA Scitech 2021 Forum

Conference

ConferenceAIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2021
CityVirtual, Online
Period1/11/211/15/21

Bibliographical note

Funding Information:
S. Yang gratefully acknowledges the faculty start-up funding from the University of Minnesota – Twin Cities. The helpful discussion with Mr. Wantong Wu about CCEMA is greatly appreciated. The authors gratefully acknowledge the computational resources shared by Prof. Graham V. Candler.

Publisher Copyright:
© 2021, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.

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