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

Quimica nova

Braga, João P.¹  Sebastião, Rita C. O.¹  Ferreira, Bárbara D. L.¹  Paulo, Jaqueline M.¹  Pujatti, Fabrício J. P.¹ 

[1] Universidade Federal de Minas Gerais, Belo Horizonte, Brasil

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

DOI  :  10.1590/S0100-40422013000200011

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 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