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Autoignition-based simplified kinetic models of hydrocarbon oxidation for fire simulations

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Abstract
The possibility of a global reaction model to predict the autoignition delay times of stoichiometric fuel-air mixtures with the accuracy corresponding to that obtained using the most comprehensive chemical mechanisms is demonstrated. To make the global reaction model applicable in a wide temperature range, the effective kinetic parameters are set temperature dependent. These parameters are derived for alkane (from methane to n-heptane and alkene (ethylene and propylene) fuels. Complicated and non-monotonic dependencies of autoignition delay time on temperature, such as those in which an interval with negative temperature dependence exist, are replicated. Compared to the detailed chemical mechanisms, use of the global reaction model offers considerable reduction of computational cost yet retaining capability of predicting critical phenomena of flame extinction and re-ignition in under-ventilated or strained flames.
Keywords
EDDY DISSIPATION CONCEPT, AIR MIXTURES, JET FLAME, COMBUSTION, MILD

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MLA
Moorthamers, Youk, et al. “Autoignition-Based Simplified Kinetic Models of Hydrocarbon Oxidation for Fire Simulations.” 4TH EUROPEAN SYMPOSIUM ON FIRE SAFETY SCIENCE, vol. 2885, 2024, doi:10.1088/1742-6596/2885/1/012039.
APA
Moorthamers, Y., Snegirev, A., Maragkos, G., Thabari, M. J. A., & Merci, B. (2024). Autoignition-based simplified kinetic models of hydrocarbon oxidation for fire simulations. 4TH EUROPEAN SYMPOSIUM ON FIRE SAFETY SCIENCE, 2885. https://doi.org/10.1088/1742-6596/2885/1/012039
Chicago author-date
Moorthamers, Youk, Alexander Snegirev, Georgios Maragkos, Muhammad Jeri At Thabari, and Bart Merci. 2024. “Autoignition-Based Simplified Kinetic Models of Hydrocarbon Oxidation for Fire Simulations.” In 4TH EUROPEAN SYMPOSIUM ON FIRE SAFETY SCIENCE. Vol. 2885. https://doi.org/10.1088/1742-6596/2885/1/012039.
Chicago author-date (all authors)
Moorthamers, Youk, Alexander Snegirev, Georgios Maragkos, Muhammad Jeri At Thabari, and Bart Merci. 2024. “Autoignition-Based Simplified Kinetic Models of Hydrocarbon Oxidation for Fire Simulations.” In 4TH EUROPEAN SYMPOSIUM ON FIRE SAFETY SCIENCE. Vol. 2885. doi:10.1088/1742-6596/2885/1/012039.
Vancouver
1.
Moorthamers Y, Snegirev A, Maragkos G, Thabari MJA, Merci B. Autoignition-based simplified kinetic models of hydrocarbon oxidation for fire simulations. In: 4TH EUROPEAN SYMPOSIUM ON FIRE SAFETY SCIENCE. 2024.
IEEE
[1]
Y. Moorthamers, A. Snegirev, G. Maragkos, M. J. A. Thabari, and B. Merci, “Autoignition-based simplified kinetic models of hydrocarbon oxidation for fire simulations,” in 4TH EUROPEAN SYMPOSIUM ON FIRE SAFETY SCIENCE, Barcelona, SPAIN, 2024, vol. 2885.
@inproceedings{01KERPY9SQB1NSGT988CRR0SRR,
  abstract     = {{The possibility of a global reaction model to predict the autoignition delay times of stoichiometric fuel-air mixtures with the accuracy corresponding to that obtained using the most comprehensive chemical mechanisms is demonstrated. To make the global reaction model applicable in a wide temperature range, the effective kinetic parameters are set temperature dependent. These parameters are derived for alkane (from methane to n-heptane and alkene (ethylene and propylene) fuels. Complicated and non-monotonic dependencies of autoignition delay time on temperature, such as those in which an interval with negative temperature dependence exist, are replicated. Compared to the detailed chemical mechanisms, use of the global reaction model offers considerable reduction of computational cost yet retaining capability of predicting critical phenomena of flame extinction and re-ignition in under-ventilated or strained flames.}},
  articleno    = {{012039}},
  author       = {{Moorthamers, Youk and Snegirev, Alexander and Maragkos, Georgios and Thabari, Muhammad Jeri At and Merci, Bart}},
  booktitle    = {{4TH EUROPEAN SYMPOSIUM ON FIRE SAFETY SCIENCE}},
  issn         = {{1742-6588}},
  keywords     = {{EDDY DISSIPATION CONCEPT,AIR MIXTURES,JET FLAME,COMBUSTION,MILD}},
  language     = {{eng}},
  location     = {{Barcelona, SPAIN}},
  pages        = {{6}},
  title        = {{Autoignition-based simplified kinetic models of hydrocarbon oxidation for fire simulations}},
  url          = {{http://doi.org/10.1088/1742-6596/2885/1/012039}},
  volume       = {{2885}},
  year         = {{2024}},
}

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