A method for generating reduced-order combustion mechanisms that satisfy the differential entropy inequality
| Autor: | Paul G. A. Cizmas, Allen E. Ream, John C. Slattery |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Fluid Flow and Transfer Processes
Arrhenius equation Physics 020209 energy Mechanical Engineering media_common.quotation_subject Computational Mechanics Thermodynamics Second law of thermodynamics 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics Mole fraction Combustion Reduced order Differential entropy symbols.namesake Mechanics of Materials 0202 electrical engineering electronic engineering information engineering Curve fitting symbols 0210 nano-technology Methane combustion media_common |
| Zdroj: | Physics of Fluids. 30:043601 |
| ISSN: | 1089-7666 1070-6631 |
| DOI: | 10.1063/1.5022691 |
| Popis: | This paper presents a new method for determining the Arrhenius parameters of a reduced chemical mechanism such that it satisfies the second law of thermodynamics. The strategy is to approximate the progress of each reaction in the reduced mechanism from the species production rates of a detailed mechanism by using a linear least squares method. A series of non-linear least squares curve fittings are then carried out to find the optimal Arrhenius parameters for each reaction. At this step, the molar rates of production are written such that they comply with a theorem that provides the sufficient conditions for satisfying the second law of thermodynamics. This methodology was used to modify the Arrhenius parameters for the Westbrook and Dryer two-step mechanism and the Peters and Williams three-step mechanism for methane combustion. Both optimized mechanisms showed good agreement with the detailed mechanism for species mole fractions and production rates of most major species. Both optimized mechanisms show... |
| Databáze: | OpenAIRE |
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