Skeletal reaction models for methane combustion

Liu, Yinmin; Babaee, Hessam; Givi, Peyman; Chelliah, Harsha K.; Livescu, Daniel; Nouri, Arash G.

doi:10.1016/j.fuel.2023.129581

Title: Skeletal reaction models for methane combustion

Journal Article · 04 September 2024 · Fuel

DOI: https://doi.org/10.1016/j.fuel.2023.129581 · OSTI ID:1999301

^[1];

^[1]; Givi, Peyman ^[1];

^[2];

^[3]; Nouri, Arash G. ^[1]

Univ. of Pittsburgh, PA (United States)
Univ. of Virginia, Charlottesville, VA (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

A local-sensitivity-analysis technique is employed to generate new skeletal reaction models for methane combustion from the foundational fuel chemistry model (FFCM-1). Here, the sensitivities of the thermo-chemical variables with respect to the reaction rates are computed via the forced-optimally time dependent (f-OTD) methodology. In this methodology, the large sensitivity matrix containing all local sensitivities is modeled as a product of two low-rank time-dependent matrices. The evolution equations of these matrices are derived from the governing equations of the system. The modeled sensitivities are computed for the auto-ignition of methane at atmospheric and high pressures with different sets of initial temperatures, and equivalence ratios. These sensitivities are then analyzed to rank the most important (sensitive) species. A series of skeletal models with different number of species and levels of accuracy in reproducing the FFCM-1 results are suggested. The performances of the generated models are compared against FFCM-1 in predicting the ignition delay, the laminar flame speed, and the flame extinction. The results of this comparative assessment suggest the skeletal models with 24 and more species generate the FFCM-1 results with an excellent accuracy.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: 89233218CNA000001; CBET-2042918; CBET-2152803

OSTI ID:: 1999301

Alternate ID(s):: OSTI ID: 2475593

Report Number(s):: LA-UR-23-27168

Journal Information:: Fuel, Vol. 357, Issue A; ISSN 0016-2361

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Skeletal reaction models for methane combustion

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