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An a priori thermodynamic data analysis based chemical lumping method for the reduction of large and multi-component chemical kinetic mechanisms

  • A chemical species lumping approach for reduction of large hydrocarbons and oxygenated fuels is presented. The methodology is based on an a priori analysis of the Gibbs free energy of the isomer species which is then used as main criteria for the evaluation of lumped group. Isomers with similar Gibbs free energy are lumped assuming they present equal concentrations when applied to standard reactor conditions. Unlike several lumping approaches found in literature, no calculation results from the primary mechanism have been employed prior to the application of our chemical lumping strategy.

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Author: Andrea MatriscianoORCiD, Lars SeidelORCiD, Christian Klauer, Harry Lehtiniemi, Fabian MaußORCiD
URL:http://www.modelreduction.net
URL:http://modelreduction.net/wp-content/uploads/2015/07/5th_IWMRRF_2015.pdf
Title of the source (English):5th International Workshop on Model Reduction in Reacting Flows, Lübbenau, 2015
Document Type:Conference Proceeding
Language:English
Year of publication:2015
Tag:Combustion, Mechanism Reduction
Number of pages:2
Faculty/Chair:Fakultät 3 Maschinenbau, Elektro- und Energiesysteme / FG Thermodynamik / Thermische Verfahrenstechnik
Institution name at the time of publication:Fakultät für Umweltwissenschaften und Verfahrenstechnik (eBTU) / LS Thermodynamik / Thermische Verfahrenstechnik
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