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Construction and assessment of reduced oxidation mechanisms using global sensitivity analysis and uncertainty analysis

Chang, Yachao; Jia, Ming; Niu, Bo; Zhang, Yanzhi; Xie, Maozhao and Li, Yaopeng LU (2019) In Proceedings of the Combustion Institute2000-01-01+01:00 37(1). p.751-761
Abstract

The global sensitivity analysis is an effective method to assess the performance of a chemical reaction mechanism. In the present study, the uncertainty analysis and the global sensitivity analysis of a detailed chemical mechanism of n-heptane are first performed based on the Monte Carlo method. The source of the prediction uncertainties of the C0-C7 sub-mechanisms and the reaction classes in the fuel-specific sub-mechanism of the detailed mechanism are determined by the global sensitivity analysis. Then, based on the results, a reduced mechanism for n-heptane oxidation is developed. To assess the performance of the reduced mechanism, the nominal model prediction and the frequency distribution of the ignition delay... (More)

The global sensitivity analysis is an effective method to assess the performance of a chemical reaction mechanism. In the present study, the uncertainty analysis and the global sensitivity analysis of a detailed chemical mechanism of n-heptane are first performed based on the Monte Carlo method. The source of the prediction uncertainties of the C0-C7 sub-mechanisms and the reaction classes in the fuel-specific sub-mechanism of the detailed mechanism are determined by the global sensitivity analysis. Then, based on the results, a reduced mechanism for n-heptane oxidation is developed. To assess the performance of the reduced mechanism, the nominal model prediction and the frequency distribution of the ignition delay times using the present reduced mechanism are compared with those of the detailed mechanism and two additional reduced mechanisms obtained by the directed relation graph with error propagation (DRGEP) method. The results indicate that the predictions from the present reduced mechanism and the reduced mechanism with 305 species satisfactorily agree that of the detailed mechanism. Furthermore, the discrepancy of the predictions among these mechanisms is discussed based on the Spearman Rank Correlation analysis. It is found that, for the reduced mechanism with 120 species, the optimization of the reaction rate constants significantly improves the nominal model prediction of the ignition delay time, whereas its influence on the range and profile of the frequency distribution is rather weak due to the intrinsic relationship among the reactions being broken in the reduced mechanism.

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author
organization
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type
Contribution to journal
publication status
published
subject
keywords
Global sensitivity analysis, Mechanism optimization, Reduced/skeletal mechanism, Uncertainty analysis
in
Proceedings of the Combustion Institute2000-01-01+01:00
volume
37
issue
1
pages
751 - 761
publisher
Elsevier
external identifiers
  • scopus:85049850831
ISSN
1540-7489
DOI
10.1016/j.proci.2018.07.006
language
English
LU publication?
yes
id
57f377a6-9723-4a83-9cea-4c93bd518387
date added to LUP
2018-07-31 11:01:00
date last changed
2019-05-27 16:46:33
@article{57f377a6-9723-4a83-9cea-4c93bd518387,
  abstract     = {<p>The global sensitivity analysis is an effective method to assess the performance of a chemical reaction mechanism. In the present study, the uncertainty analysis and the global sensitivity analysis of a detailed chemical mechanism of n-heptane are first performed based on the Monte Carlo method. The source of the prediction uncertainties of the C<sub>0</sub>-C<sub>7</sub> sub-mechanisms and the reaction classes in the fuel-specific sub-mechanism of the detailed mechanism are determined by the global sensitivity analysis. Then, based on the results, a reduced mechanism for n-heptane oxidation is developed. To assess the performance of the reduced mechanism, the nominal model prediction and the frequency distribution of the ignition delay times using the present reduced mechanism are compared with those of the detailed mechanism and two additional reduced mechanisms obtained by the directed relation graph with error propagation (DRGEP) method. The results indicate that the predictions from the present reduced mechanism and the reduced mechanism with 305 species satisfactorily agree that of the detailed mechanism. Furthermore, the discrepancy of the predictions among these mechanisms is discussed based on the Spearman Rank Correlation analysis. It is found that, for the reduced mechanism with 120 species, the optimization of the reaction rate constants significantly improves the nominal model prediction of the ignition delay time, whereas its influence on the range and profile of the frequency distribution is rather weak due to the intrinsic relationship among the reactions being broken in the reduced mechanism.</p>},
  author       = {Chang, Yachao and Jia, Ming and Niu, Bo and Zhang, Yanzhi and Xie, Maozhao and Li, Yaopeng},
  issn         = {1540-7489},
  keyword      = {Global sensitivity analysis,Mechanism optimization,Reduced/skeletal mechanism,Uncertainty analysis},
  language     = {eng},
  number       = {1},
  pages        = {751--761},
  publisher    = {Elsevier},
  series       = {Proceedings of the Combustion Institute2000-01-01+01:00},
  title        = {Construction and assessment of reduced oxidation mechanisms using global sensitivity analysis and uncertainty analysis},
  url          = {http://dx.doi.org/10.1016/j.proci.2018.07.006},
  volume       = {37},
  year         = {2019},
}