Methane combustion kinetic rate constants determination: an ill-posed inverse problem analysis

AUTOR(ES)

Ferreira, Bárbara D. L., Paulo, Jaqueline M., Braga, João P., Sebastião, Rita C. O., Pujatti, Fabrício J. P.

FONTE

Quím. Nova

DATA DE PUBLICAÇÃO

2013

RESUMO

Methane combustion was studied by the Westbrook and Dryer model. This well-established simplified mechanism is very useful in combustion science, for computational effort can be notably reduced. In the inversion procedure to be studied, rate constants are obtained from [CO] concentration data. However, when inherent experimental errors in chemical concentrations are considered, an ill-conditioned inverse problem must be solved for which appropriate mathematical algorithms are needed. A recurrent neural network was chosen due to its numerical stability and robustness. The proposed methodology was compared against Simplex and Levenberg-Marquardt, the most used methods for optimization problems.

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