Analytical Solution for the Sensitivity Coefficients of Ignition Delay Times.

IF 2.7 2区 化学 Q3 CHEMISTRY, PHYSICAL
Jingqi Hu, Chung K Law, Wenkai Liang
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引用次数: 0

Abstract

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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来源期刊
The Journal of Physical Chemistry A
The Journal of Physical Chemistry A 化学-物理:原子、分子和化学物理
CiteScore
5.20
自引率
10.30%
发文量
922
审稿时长
1.3 months
期刊介绍: The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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