Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion

Li, Z.;Lewandowski, M.T.;Contino, Francesco;Parente, A.
(2018) Energy & Fuels — Vol. 32, n° 10, p. 10121-10131 (2018)

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Abstract
The current paper focuses on the numerical simulation of the Delft jet in hot co-flow (DJHC) burner, fed with natural gas and biogas, using the eddy dissipation concept (EDC) model with dynamic chemistry reduction and tabulation, i.e., tabulated dynamic adaptive chemistry (TDAC). The central processing unit (CPU) time saving provided by TDAC is evaluated for various EDC model constants and chemical mechanisms of increasing complexity, using a number of chemistry reduction approaches. Results show that the TDAC method provides speed-up factors of 1.4-2.0 and more than 10 when using a skeletal mechanism (DRM19) and a comprehensive kinetic mechanism (POLIMIC1C3HT), respectively. The directed relation graph with error propagation (DRGEP), dynamic adaptive chemistry (DAC), and elementary flux analysis (EFA) reduction models show superior performances when compared to other approaches, such as directed relation graph (DRG) and path flux analysis (PFA). All of the reduction models have been adapted for run-time reduction. Furthermore, the contribution of tabulation is more important with small mechanisms, while reduction plays a major role with large ones. © 2018 American Chemical Society.
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Li, Z., Lewandowski, M. T., Contino, F., & Parente, A. (2018). Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion. Energy & Fuels, 32(10), 10121-10131. https://doi.org/10.1021/acs.energyfuels.8b01001 (Original work published 2018)