Analytical Solution for the Sensitivity Coefficients of Ignition Delay Times

In this study, a theoretical analysis of the sensitivity coefficients of ignition delay times is performed by using eigenvalue analysis. Using H<sub>2</sub>/O<sub>2</sub> and CH<sub>4</sub>/H<sub>2</sub>/O<sub>2</sub> kinetic systems as examples, it is demonstrated that the analytical solutions achieve accurate predictions of the sensitivity coefficients of the ignition delay time as compared with the computational solutions. Furthermore, the temperature dependence of the sensitivity coefficients can also be predicted by the theory. For the H<sub>2</sub>/O<sub>2</sub> system, the sensitivity coefficients of the key elementary reactions can be predicted with high accuracy at wide ranges of temperature, pressure, and equivalence ratio. For the CH<sub>4</sub>/H<sub>2</sub>/O<sub>2</sub> system, due to the complexity of the kinetic interactions, while the sensitivity of some reactions with relatively low values can be less accurate, the key reactions with high sensitivity can all be accurately predicted. The comparison of theory with various sizes shows that high-dimensional analysis can achieve closer prediction with the same computational cost. The potential to calculate sensitivity coefficients based on the eigenvalue is noteworthy and encouraging.

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Publication Details

Journal
The Journal of Physical Chemistry A
Published
2025-04-01
DOI
https://doi.org/10.1021/acs.jpca.4c05256
Primary Topic
Advanced Combustion Engine Technologies
Type
article
Field-Weighted Citation Impact
0.00

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article

Analytical Solution for the Sensitivity Coefficients of Ignition Delay Times

Wenkai Liang, Jingqi Hu, Chung K. Law
The Journal of Physical Chemistry A
Advanced Combustion Engine Technologies
article

Analytical Solution for the Sensitivity Coefficients of Ignition Delay Times

Wenkai Liang, Jingqi Hu, Chung K. Law
article en

Abstract

In this study, a theoretical analysis of the sensitivity coefficients of ignition delay times is performed by using eigenvalue analysis. Using H<sub>2</sub>/O<sub>2</sub> and CH<sub>4</sub>/H<sub>2</sub>/O<sub>2</sub> kinetic systems as examples, it is demonstrated that the analytical solutions achieve accurate predictions of the sensitivity coefficients of the ignition delay time as compared with the computational solutions. Furthermore, the temperature dependence of the sensitivity coefficients can also be predicted by the theory. For the H<sub>2</sub>/O<sub>2</sub> system, the sensitivity coefficients of the key elementary reactions can be predicted with high accuracy at wide ranges of temperature, pressure, and equivalence ratio. For the CH<sub>4</sub>/H<sub>2</sub>/O<sub>2</sub> system, due to the complexity of the kinetic interactions, while the sensitivity of some reactions with relatively low values can be less accurate, the key reactions with high sensitivity can all be accurately predicted. The comparison of theory with various sizes shows that high-dimensional analysis can achieve closer prediction with the same computational cost. The potential to calculate sensitivity coefficients based on the eigenvalue is noteworthy and encouraging.

The Journal of Physical Chemistry AVol. 129(14)
Princeton University (US), Alstom (United States) (US), Tsinghua University (CN)
National Natural Science Foundation of China
Openalex Percentile: Top 94%
Advanced Combustion Engine Technologies
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Analytical Solution for the Sensitivity Coefficients of Ignition Delay Times — Wenkai Liang, Jingqi Hu, et al. · The Journal of Physical Chemistry A (2025) | TGRS Research Map | TGRS