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Chemistry Mapping in Large-Eddy Simulations of Bluff-Body Flames Using Alternative Jet Fuels

Vauquelin, Pierre LU orcid ; Zhou, Yuchen LU ; Åkerblom, Arvid LU ; Fureby, Christer LU and Bai, Xue Song LU (2026) In AIAA Journal 64(5). p.2647-2659
Abstract

In numerical combustion research, accurate chemical reaction mechanisms for heavy hydrocarbons are essential to investigate the flame dynamics of sustainable aviation fuels (SAF) relative to conventional jet fuels. However, accounting for hundreds or thousands of reactions makes finite-rate chemistry (FRC) large-eddy simulations (LES) impractical for realistic engineering scenarios. Here, a multidimensional chemistry coordinate mapping (CCM) approach is employed to reduce the computational expense of FRC-LES for jet fuel combustion. In the CCM methodology, the flow transport equations are directly integrated (DI) in the computational cells in physical space, whereas the chemical reactions are integrated in a phase space made up of a few... (More)

In numerical combustion research, accurate chemical reaction mechanisms for heavy hydrocarbons are essential to investigate the flame dynamics of sustainable aviation fuels (SAF) relative to conventional jet fuels. However, accounting for hundreds or thousands of reactions makes finite-rate chemistry (FRC) large-eddy simulations (LES) impractical for realistic engineering scenarios. Here, a multidimensional chemistry coordinate mapping (CCM) approach is employed to reduce the computational expense of FRC-LES for jet fuel combustion. In the CCM methodology, the flow transport equations are directly integrated (DI) in the computational cells in physical space, whereas the chemical reactions are integrated in a phase space made up of a few principal variables, improving simulation efficiency. In a turbulent premixed bluff-body burner, the LES-CCM method is compared with experimental data and LES-DI results for conventional fuels Jet A (or A2) and JP5 (or A3) and alternative synthetic fuels, referred to as C1 and C5. The skeletal HyChem reaction mechanisms are utilized, ranging from 40 to 50 species and 200 to 300 reactions. A satisfying compromise is achieved between the accuracy of the results and the speedup factor, on average around three, depending on the CCM phase space dimension and the size of the reaction mechanism.

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author
; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
AIAA Journal
volume
64
issue
5
pages
13 pages
publisher
American Institute of Aeronautics and Astronautics
external identifiers
  • scopus:105038345176
ISSN
0001-1452
DOI
10.2514/1.J065789
language
English
LU publication?
yes
id
ddf2e631-893a-4b24-bd7e-1c0256da141a
date added to LUP
2026-08-17 12:11:46
date last changed
2026-08-17 12:13:00
@article{ddf2e631-893a-4b24-bd7e-1c0256da141a,
  abstract     = {{<p>In numerical combustion research, accurate chemical reaction mechanisms for heavy hydrocarbons are essential to investigate the flame dynamics of sustainable aviation fuels (SAF) relative to conventional jet fuels. However, accounting for hundreds or thousands of reactions makes finite-rate chemistry (FRC) large-eddy simulations (LES) impractical for realistic engineering scenarios. Here, a multidimensional chemistry coordinate mapping (CCM) approach is employed to reduce the computational expense of FRC-LES for jet fuel combustion. In the CCM methodology, the flow transport equations are directly integrated (DI) in the computational cells in physical space, whereas the chemical reactions are integrated in a phase space made up of a few principal variables, improving simulation efficiency. In a turbulent premixed bluff-body burner, the LES-CCM method is compared with experimental data and LES-DI results for conventional fuels Jet A (or A2) and JP5 (or A3) and alternative synthetic fuels, referred to as C1 and C5. The skeletal HyChem reaction mechanisms are utilized, ranging from 40 to 50 species and 200 to 300 reactions. A satisfying compromise is achieved between the accuracy of the results and the speedup factor, on average around three, depending on the CCM phase space dimension and the size of the reaction mechanism.</p>}},
  author       = {{Vauquelin, Pierre and Zhou, Yuchen and Åkerblom, Arvid and Fureby, Christer and Bai, Xue Song}},
  issn         = {{0001-1452}},
  language     = {{eng}},
  number       = {{5}},
  pages        = {{2647--2659}},
  publisher    = {{American Institute of Aeronautics and Astronautics}},
  series       = {{AIAA Journal}},
  title        = {{Chemistry Mapping in Large-Eddy Simulations of Bluff-Body Flames Using Alternative Jet Fuels}},
  url          = {{http://dx.doi.org/10.2514/1.J065789}},
  doi          = {{10.2514/1.J065789}},
  volume       = {{64}},
  year         = {{2026}},
}