A new method for systematic 1-step chemistry reduction applied to hydrocarbon combustion - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Proceedings of the Combustion Institute Année : 2022

A new method for systematic 1-step chemistry reduction applied to hydrocarbon combustion

Résumé

We propose a new single-step mechanism for the combustion of arbitrary hydrocarbons and alcohols. Unlike most single-step models, no tabulation is required, as the method builds upon a new analytical description of the thermochemical equilibrium of fuel-oxidizer mixtures including dihydrogen and carbon monoxide-two species usually discarded in one-step descriptions-yielding correct adiabatic temperature. The single-step chemistry includes varying stoichiometric coefficients, ensuring a convergence towards thermochemical equilibrium regardless of the local state. The reaction rate is then carefully adjusted to reproduce accurately premixed flames. To tackle ignition simultaneously, an additional passive scalar advection-diffusion-reaction equation is introduced, with a rate fitted on ignition delays. The scalar then serves as an efficiency to modify the single-step reaction rate in autoignition configurations. The obtained scheme is then validated for a wide range of equivalence ratios on homogeneous reactors, premixed flames, a triple flame, and a counterflow diffusion flame. The new analytical thermochemical equilibrium formulation may also serve in speeding up infinitely fast chemistry calculations.
Fichier principal
Vignette du fichier
1step_CnHmOp.pdf (481 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03825847 , version 1 (23-10-2022)

Identifiants

Citer

Alejandro Millán-Merino, Said Taileb, Pierre Boivin. A new method for systematic 1-step chemistry reduction applied to hydrocarbon combustion. Proceedings of the Combustion Institute, 2022, ⟨10.1016/j.proci.2022.08.052⟩. ⟨hal-03825847⟩
28 Consultations
51 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More