Eventos Anais de eventos
ENCIT 2022
19th Brazilian Congress of Thermal Sciences and Engineering
REDUCTION TECHNIQUES FOR DETAILED KINETICS MODELS: A NUMERICAL ASSESSMENT FOCUSED ON TRANSPORTATION FUELS
Submission Author:
Laura Tatiana Meneses Barrera , SC , Brazil
Co-Authors:
Laura Tatiana Meneses Barrera, Gabriel de Andrade Janene Gonini, Leonel R Cancino, Vinicius Rugeri Borges Bonini, Felipe Kraus, Augusto Finger Pacheco, Amir Antonio Martins Oliveira
Presenter: Laura Tatiana Meneses Barrera
doi://10.26678/ABCM.ENCIT2022.CIT22-0242
Abstract
Kinetics mechanism reductions using the directed relation graph (DRG) and directed relation graph with error propagation (DRGEP) are presented for two kinetics mechanisms for methane and one kinetics mechanism for PRF mixtures (mixtures of isoctane and n-heptane) using three threshold values: 0.1, 0.08 and 0.05. For methane, the Grimech3 mechanism with 53 species and 325 reactions and the San Diego mechanism with 48 and 303 reactions were reduced. The DRG-reduced mechanisms for methane with the threshold of 0.1 showed no differences in the calculation of Ignition Delay Time (IDT) and Laminar Flame Speed (LFS). The DRGEP-reduced mechanisms for methane with the threshold of 0.08 and 0.05 showed average errors of 27% for LFS relative to the detailed mechanism. For PRF mixtures, the POLIMI mechanism was used with 484 species and 19341 reactions. The reduced mechanism for PRF by the DRG method and the threshold of 0.08 presented 1% errors with the detailed mechanism for LFS, but did not perform satisfactorily for IDT values. The reduced mechanism for the PRF by the DRG method using the threshold of 0.1 presented IDT errors of 15% for lean and stoichiometric mixtures and 23% for rich mixtures, while being able to reproduce the NTC behavior for the PRF100.
Keywords
Detailed chemical kinetics, Chemical kinetics mechanism reduction, CANTERA, DRG, DRGEP
