Volume 56, Issue 8 pp. 445-457
RESEARCH ARTICLE

Chemical kinetic model reduction based on species-targeted local sensitivity analysis

You Wu

You Wu

Center for Combustion Energy and Department of Energy and Power Engineering, Tsinghua University, Beijing, P.R. China

Key Laboratory for Thermal Science and Power Engineering of MOE, International Joint Laboratory on Low Carbon Clean Energy Innovation, Tsinghua University, Beijing, P.R. China

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Shengqiang Lin

Shengqiang Lin

School of Automotive Engineering, Yancheng Institute of Technology, Yancheng, Jiangsu, P.R. China

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Chung K. Law

Chung K. Law

Center for Combustion Energy and Department of Energy and Power Engineering, Tsinghua University, Beijing, P.R. China

Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey, USA

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Bin Yang

Corresponding Author

Bin Yang

Center for Combustion Energy and Department of Energy and Power Engineering, Tsinghua University, Beijing, P.R. China

Key Laboratory for Thermal Science and Power Engineering of MOE, International Joint Laboratory on Low Carbon Clean Energy Innovation, Tsinghua University, Beijing, P.R. China

Correspondence

Bin Yang, Center for Combustion Energy and Department of Energy and Power Engineering, Tsinghua University, Beijing 100084, P.R. China.

Email: [email protected]

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First published: 26 March 2024

Abstract

Reduction of large combustion mechanisms is usually conducted based on the detection and elimination of redundant species and reactions. Reaction elimination methods are mostly based on sensitivity analysis, which can provide insight into the kinetic system, while species elimination methods are more efficient. In this work, the species-targeted local sensitivity analysis (STLSA) method is proposed to evaluate the importance of species and eliminate non-crucial species and their related reactions to simplify kinetic models. This paper comprehensively evaluates the effectiveness of STLSA across various combustion scenarios, including high and low-temperature ignition and laminar flame speed, using diverse mechanisms like USC Mech II, JetSurf 1.0, POLIMI_TOT_1412, NUIGMech1.1 and so on. Comparisons with graph-based methods, such as DRG and DRGEP, highlight STLSA's superior efficiency and accuracy. Moreover, STLSA is compared to species-targeted global sensitivity analysis (STGSA), demonstrating significant computation cost savings and comparable model reduction capabilities. The study concludes that STLSA is a robust and versatile tool for mechanism reduction, offering substantial improvements in computational efficiency while maintaining high accuracy in predicting key combustion properties.

DATA AVAILABILITY STATEMENT

The data that supports the findings of this study are available in the supplementary material of this article

The full text of this article hosted at iucr.org is unavailable due to technical difficulties.