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

Química Nova

Bárbara D. L. Ferreira¹  Jaqueline M. Paulo¹  João P. Braga¹  Rita C. O. Sebastião¹  Fabrício J. P. Pujatti² 

[1] ,Universidade Federal de Minas Gerais Instituto de Ciências Exatas Departamento de QuímicaBelo Horizonte MG ,Brasil

关键词: methane combustion;    kinetic rate constants;    inverse problem;   

DOI  :  10.1590/S0100-40422013000200011

来源: SciELO

【 摘 要 】

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.

【 授权许可】

CC BY-NC   
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