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Reduction of Large Detailed Chemical Kinetic Mechanisms for Autoignition Using Joint Analyses of Reaction Rates and Sensitivities [electronic resource].

Published
Washington, D.C. : United States. Dept. of Energy, 2006.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description
PDF-file: 43 pages; size: 0.3 Mbytes
Additional Creators
Lawrence Berkeley National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
A new technique of reduction of detailed mechanisms for autoignition, which is based on two analysis methods is described. An analysis of reaction rates is coupled to an analysis of reaction sensitivity for the detection of redundant reactions. Thresholds associated with the two analyses have a great influence on the size and efficiency of the reduced mechanism. Rules of selection of the thresholds are defined. The reduction technique has been successfully applied to detailed autoignition mechanisms of two reference hydrocarbons: n-heptane and iso-octane. The efficiency of the technique and the ability of the reduced mechanisms to reproduce well the results generated by the full mechanism are discussed. A speedup of calculations by a factor of 5.9 for n-heptane mechanism and by a factor of 16.7 for iso-octane mechanism is obtained without losing accuracy of the prediction of autoignition delay times and concentrations of intermediate species.
Report Numbers
E 1.99:ucrl-jrnl-226859
ucrl-jrnl-226859
Subject(s)
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Note
Published through SciTech Connect.
11/29/2006.
"ucrl-jrnl-226859"
International Journal of Chemical Kinetics, vol. 39, N/A, January 2, 2007, pp. 181-196 39 FT
Pitz, W J; Minetti, R; Ribaucour, M; Saylam, A.
Funding Information
W-7405-ENG-48
View MARC record | catkey: 14066197