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Pré-Publication, Document De Travail Année : 2024

Computational assessment of detailed soot formation models in ethylene/air laminar diffusion flames

Résumé

To improve the accuracy of soot formation predictions, several physical and chemical models have been developed over the last decades. These models include (i) detailed chemical kinetic mechanisms describing gas-phase chemistry related to combustion processes and reaction pathways leading to large-sized aromatic molecules, which are needed for modeling soot formation, and (ii) detailed soot formation models providing a comprehensive description of soot particle dynamics and interactions with gas-phase chemical species. Accordingly, in this work, two detailed soot formation models, the method of moments (MOM) and the discrete sectional method (DSM) ones, are evaluated in ethylene/air laminar diffusion flames and their corresponding results are compared with experimental measurements. Furthermore, the NBP and KM2 chemical kinetic mechanisms are assessed and compared with each other by examining key chemical species related to soot formation. To compute gas mixture’s radiative properties, the WSGG (weighted sum of grey gases) model considering a gray medium is also utilized. Finally, the contributions of the soot precursors known as PAH (polycyclic aromatic hydrocarbon) to soot formation are also analyzed. The main results show that the discrepancies in PAH concentrations obtained with different chemical kinetic mechanisms can be significant. In addition, compared to the MOM ones, the DSM results obtained here show a better agreement with experimental data. Finally, the analysis of PAH shows that those with two (A2) to four (A4) aromatic rings impact the most on soot formation modeling. Specifically, contributions of A4 were found to be more significant at lower heights above the burner, whereas A2 was found to be more impactful downstream as the flame develops. Maximum contributions of A2 and A4 to the soot nucleation rate were 66% and 85%, respectively, whereas the maximum summed contribution of PAH with five (A4R5) to seven (A7) aromatic rings accounted for only 13% of the nucleation rate.
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Dates et versions

hal-04420383 , version 1 (26-01-2024)
hal-04420383 , version 2 (06-06-2024)

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  • HAL Id : hal-04420383 , version 1

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Sebastián Ruiz, Cesar Celis, Luís Fernando Figueira da Silva. Computational assessment of detailed soot formation models in ethylene/air laminar diffusion flames. 2024. ⟨hal-04420383v1⟩
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