Química Nova (Jan 2013)

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

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

DOI
https://doi.org/10.1590/S0100-40422013000200011
Journal volume & issue
Vol. 36, no. 2
pp. 262 – 266

Abstract

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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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