TY - JOUR
T1 - Analytical Solution for the Sensitivity Coefficients of Ignition Delay Times
AU - Hu, Jingqi
AU - Law, Chung K.
AU - Liang, Wenkai
N1 - Publisher Copyright:
© 2025 American Chemical Society.
PY - 2025/4/10
Y1 - 2025/4/10
N2 - In this study, a theoretical analysis of the sensitivity coefficients of ignition delay times is performed by using eigenvalue analysis. Using H2/O2 and CH4/H2/O2 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 H2/O2 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 CH4/H2/O2 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.
AB - In this study, a theoretical analysis of the sensitivity coefficients of ignition delay times is performed by using eigenvalue analysis. Using H2/O2 and CH4/H2/O2 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 H2/O2 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 CH4/H2/O2 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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U2 - 10.1021/acs.jpca.4c05256
DO - 10.1021/acs.jpca.4c05256
M3 - Article
C2 - 40168623
AN - SCOPUS:105003089044
SN - 1089-5639
VL - 129
SP - 3331
EP - 3338
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 14
ER -