A Novel Active Parameter Selection Strategy for the Efficient Optimization of Combustion Mechanisms

Kovács, Márton [Kovács, Márton (Reakciókinetika), author] Insititute of Chemistry (ELTE / ELU FoS); Laboratory for Chemical Kinetics (RKL) (ELTE / ELU FoS / IC); Papp, Máté [Papp, Máté, author] Laboratory for Chemical Kinetics (RKL) (ELTE / ELU FoS / IC); Turányi, Tamás ✉ [Turányi, Tamás (Fizikai kémia), author] Insititute of Chemistry (ELTE / ELU FoS); Department of Physical Chemistry (ELTE / ELU FoS / IC); Laboratory for Chemical Kinetics (RKL) (ELTE / ELU FoS / IC); Nagy, Tibor ✉ [Nagy, Tibor (reakciódinamika, ...), author] Renewable Energy (IMEC)

English Conference paper (Conference paper) Scientific
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    • NATURAL SCIENCES
    In previous mechanism optimization studies, the active parameters were selected based either on local sensitivity coefficients or on products of the local sensitivity coefficient and the uncertainty of the parameters. In this work, we propose a very efficient novel method, called PCALIN, which uses not only the local sensitivities, but also considers the uncertainty and the correlation of parameters, and furthermore the uncertainty and the weights of the experimental data. The method also identifies the relevant subset of the experimental data collection, thereby allows significant savings in computation time at mechanism optimization.
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    2024-12-03 10:31