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

Zhiyi Li; Michał T Lewandowski; Francesco Contino; Alessandro Parente

doi:10.1021/acs.energyfuels.8b01001

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

Energy Fuels. 2018 Oct 18;32(10):10121-10131. doi: 10.1021/acs.energyfuels.8b01001. Epub 2018 May 21.

Authors

Zhiyi Li^{1

2}, Michał T Lewandowski³, Francesco Contino^{2

4}, Alessandro Parente^{1

2}

Affiliations

¹ Aero-Thermo-Mechanics Laboratory, Ecole Polytechnique de Bruxelles, Université Libre de Bruxelles, 1050 Brussels, Belgium.
² Combustion and Robust Optimization Group (BURN), Université Libre de Bruxelles and Vrije Universiteit Brussel, 1050 Brussels, Belgium.
³ Institute of Fluid Flow Machinery, Polish Academy of Sciences, 80-231 Gdańsk, Poland.
⁴ Department of Mechanical Engineering, Vrije Universiteit Brussel, 1050 Brussels, Belgium.

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.