DATA: hydrogen and ammonia flame speeds from different Soret diffusion models

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Zirwes, Thorsten, 2025, "DATA: hydrogen and ammonia flame speeds from different Soret diffusion models", https://doi.org/10.18419/DARUS-5138, DaRUS, V1
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Description

Unstretched laminar flame speeds (sL0) of hydrogen-air and ammonia/hydrogen-air flames

Each file contains a table with the raw flame speed data presented in the paper

T. Zirwes, A. Kronenburg, "Assessment of Approximate Soret Diffusion Models for Hydrogen and Ammonia Combustion", Flow, Turbulence and Combustion (2025), https://doi.org/10.1007/s10494-025-00680-5

Each table is structured as follows:

The file name contains information about the fuel composition (either pure hydrogen, "H2", or ammonia/hydrogen at a 60/40 blend by volume, "60-NH3-40-H2"), the unburnt gas temperature (either 300K or 500K), the pressure (either 1atm or 5atm) and the reaction mechanism (Stagni et al. [1] for the ammonia-hydrogen flames and Li et al. [2], Burke et al [3] or Boivin et al [4] for pure hydrogen flames).

The columns contain:

  • Column 1: Equivalence ratio
  • Column 2: sL0 from the multicomponent model without Soret diffusion (m/s)
  • Column 3: sL0 from the multicomponent model with Soret diffusion (m/s)
  • Column 4: sL0 from the mixture-averaged model with the Chaptman&Cowling Soret model (m/s)
  • Column 5: sL0 from the mixture-averaged model with the Bartlett Soret model (m/s)
  • Column 6: sL0 from the mixture-averaged model with the Hirschfelder&Warnatz Soret model activated only for H and H2 (m/s)

[1] A. Stagni, S. Arunthanayothin, M. Dehue, O. Herbinet, F. Battin-Leclerc, P. Bréquigny, C. Mounaïm-Rousselle, T. Faravelli, "Low-and intermediate temperature ammonia/hydrogen oxidation in a flow reactor: Experiments and a wide-range kinetic modeling", Chem. Eng. J. 471 (2023)

[2] J. Li, Z. Zhao, A. Kazakov, F.L. Dryer, "An updated comprehensive kinetic model of hydrogen combustion", Int. J. Chemical Kinetics 36, 566-575 (2004)

[3] M.P. Burke, M. Chaos, Y. Ju, F.L. Dryer, S.J. Klippenstein, "Comprehensive H2/O2 kinetic model for high-pressure combustion", Int. J. Chem. Kinetics 44(7), 444-474 (2012)

[4] P. Boivin, "Reduced-kinetic mechanisms for hydrogen and syngas combustion including autoignition", Phd, Universidad Carlos III de Madrid (2011)

(2025-07-04)
Subject Chemistry; Engineering
Keyword Hydrogen, Combustion, Ammonia, Flow, Turbulence, Soret Diffusion Modelling
Related Publication Is Cited By: T. Zirwes, A. Kronenburg, "Assessment of Approximate Soret Diffusion Models for Hydrogen and Ammonia Combustion", Flow, Turbulence and Combustion, 2025.doi: 10.1007/s10494-025-00680-5
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sL0_60-NH3-40-H2-air_300K_1atm_Stagni-1.dat
Fixed Field Text Data - 15.5 KB
Published Jul 23, 2025
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MD5: 296227223b76178bf3dc00c39538a0b5
Unstretched laminar flame speeds at 300K and 1atm for ammonia/hydrogen-air flames (60/40 blend by volume) at different equivalence ratios from the Stagni reaction mechanism using different Soret diffusion models.
sL0_H2-air_300K_1atm_Boivin.dat
Fixed Field Text Data - 12.4 KB
Published Jul 23, 2025
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MD5: 21d85da092839596fdb53e028735e22f
Unstretched laminar flame speeds at 300K and 1atm for hydrogen-air flames at different equivalence ratios from the Boivin reaction mechanism using different Soret diffusion models.
sL0_H2-air_300K_1atm_Burke.dat
Fixed Field Text Data - 12.4 KB
Published Jul 23, 2025
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MD5: 9920717bbec9e0c7ac4d2dc129bd5eb8
Unstretched laminar flame speeds at 300K and 1atm for hydrogen-air flames at different equivalence ratios from the Burke reaction mechanism using different Soret diffusion models.
sL0_H2-air_300K_1atm_Li.dat
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Published Jul 23, 2025
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MD5: 58875c42b351c42463be969cfb6cc4d7
Unstretched laminar flame speeds at 300K and 1atm for hydrogen-air flames at different equivalence ratios from the Li reaction mechanism using different Soret diffusion models.
sL0_H2-air_300K_5atm_Li.dat
Fixed Field Text Data - 12.4 KB
Published Jul 23, 2025
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MD5: a4206f970385692e8ae0bd32b24b5921
Unstretched laminar flame speeds at 300K and 5atm for hydrogen-air flames at different equivalence ratios from the Li reaction mechanism using different Soret diffusion models.
sL0_H2-air_500K_1atm_Li.dat
Fixed Field Text Data - 12.4 KB
Published Jul 23, 2025
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MD5: b79830a3ecb2ece15af8e2a4ce4bb6f5
Unstretched laminar flame speeds at 500K and 1atm for hydrogen-air flames at different equivalence ratios from the Li reaction mechanism using different Soret diffusion models.
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