In simulating chemically reacting flows, the differential entropy inequality (the local form of the second law of thermodynamics) must be satisfied in addition to the differential mass, momentum and energy balances. Previously we have shown that entropy violations occur when using a global/reduced mechanism. Herein we show that entropy violations also occur when using a detailed/skeletal/reduced mechanism. Using a recent theorem , we illustrate how to modify a reduced chemical kinetics model to automatically satisfy the differential entropy inequality. The numerical solution of a methane laminar flame was improved when using reduced chemical kinetics modified in this way. In addition, an ad hoc temperature limiter is no longer necessary.
Creating Reduced Kinetics Models That Satisfy the Entropy Inequality
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Jones, NH, Cizmas, PGA, & Slattery, JC. "Creating Reduced Kinetics Models That Satisfy the Entropy Inequality." Proceedings of the ASME Turbo Expo 2014: Turbine Technical Conference and Exposition. Volume 4A: Combustion, Fuels and Emissions. Düsseldorf, Germany. June 16–20, 2014. V04AT04A047. ASME. https://doi.org/10.1115/GT2014-25694
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