On the predictability of chemical kinetics for the description of the combustion of simple fuels

• Autor(a) principal: Mendoza Orbegoso,Elder M.
• Data de Publicação: 2011
• Outros Autores: Silva,Luís F. Figueira da, Novgorodcev Junior,André R.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Journal of the Brazilian Society of Mechanical Sciences and Engineering (Online)
• Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1678-58782011000400013
• topic: detailed kinetic mechanisms; hydrogen; natural gas; ethanol; liquefied petroleum gas

This work presents a systematic comparison between several detailed chemical kinetic models recently developed and available experimental data. The aim is to assess the predictive capabilities of the combustion with air of the following fuels: hydrogen, methane, ethanol and liquefied petroleum gas, in a large range of equivalence ratio. The prevailing thermodynamical conditions range from ambient to the more stringent ones, such as high pressure combustion. In order to assess the predictive performance of the twelve chosen chemical kinetics models, the results of numerical simulations are compared with existing experimental data of the combustion process in two simplified physical systems: the perfectly stirred reactor and the freely propagating premixed laminar flame. When ambient conditions are considered, the comparisons reveal a good agreement among most of detailed kinetic mechanisms, on the prediction of thermochemical properties of practical interest with respect to the corresponding experimental data only, as far as lighter fuels such as hydrogen, methane and ethanol are considered. The chosen mechanisms are shown to meet with difficulties when mixtures of liquefied petroleum gas and air are considered, even in ambient conditions. The obtained results highlight the necessity for (i) updating the existing mechanisms with the use of recent experimental results and (ii) the development of new comprehensive models.