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• W2891510976 abstract "The method of uncertainty minimization by polynomial chaos expansions is extended to Arrhenius prefactor and activation energy co-optimization and uncertainty minimization. A covariance matrix is formulated to describe the joint probability distribution of the reaction rate parameters. The method is tested on a recently proposed foundational fuel chemistry model using 60 H2 and H2/CO flame speeds as the targets. The results show that co-optimizing A and Ea did not produce appreciable improvements in the ability of the reaction model to better predict the flame targets. It does yield reduction in the temperature-dependent uncertainty band of the rate coefficients of several key reactions. The importance of additional experimental and theoretical studies needed for the CO+OH→CO2+H, HO2+H→H2+O2 and HO2+H→2OH reactions is highlighted." @default.
• W2891510976 created "2018-09-27" @default.
• W2891510976 creator A5012634684 @default.
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• W2891510976 date "2019-01-01" @default.
• W2891510976 modified "2023-10-16" @default.
• W2891510976 title "Joint probability distribution of Arrhenius parameters in reaction model optimization and uncertainty minimization" @default.
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• W2891510976 doi "https://doi.org/10.1016/j.proci.2018.08.052" @default.
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