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

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 process...

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Autores principales: Li, Zhiyi, Lewandowski, Michał T., Contino, Francesco, Parente, Alessandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6196345/
https://www.ncbi.nlm.nih.gov/pubmed/30364430
http://dx.doi.org/10.1021/acs.energyfuels.8b01001
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author Li, Zhiyi
Lewandowski, Michał T.
Contino, Francesco
Parente, Alessandro
author_facet Li, Zhiyi
Lewandowski, Michał T.
Contino, Francesco
Parente, Alessandro
author_sort Li, Zhiyi
collection PubMed
description 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.
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spelling pubmed-61963452018-10-23 Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion Li, Zhiyi Lewandowski, Michał T. Contino, Francesco Parente, Alessandro Energy Fuels 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. American Chemical Society 2018-05-21 2018-10-18 /pmc/articles/PMC6196345/ /pubmed/30364430 http://dx.doi.org/10.1021/acs.energyfuels.8b01001 Text en Copyright © 2018 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Li, Zhiyi
Lewandowski, Michał T.
Contino, Francesco
Parente, Alessandro
Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion
title Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion
title_full Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion
title_fullStr Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion
title_full_unstemmed Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion
title_short Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion
title_sort assessment of on-the-fly chemistry reduction and tabulation approaches for the simulation of moderate or intense low-oxygen dilution combustion
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6196345/
https://www.ncbi.nlm.nih.gov/pubmed/30364430
http://dx.doi.org/10.1021/acs.energyfuels.8b01001
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