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

Abstract

Recebido em 11/6/12; aceito em 10/9/12; publicado na web em 1/2/2013 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.

Determining the composition of burned gas using the method of constraints as a problem of model interpretation

“…Determining the reduced formula of a mixture. Most calculations of the parameters for combustion processes (chemical conversion) are based on the methods of chemical kinetics for an individual substance [11]. The use of such an approach when considering the process of combustion of a gas mixture requires that its enthalpy and gross-formula should be defined.…”