Eventos Anais de eventos
ENCIT 2022
19th Brazilian Congress of Thermal Sciences and Engineering
TUNING DETAILED KINETICS MODELS FOR LAMINAR FLAME SPEED AND NOX PREDICTIONS: A SYSTEMATIC METHODOLOGY USING SENSITIVITY ANALYSIS
Submission Author:
Vinicius Rugeri Borges Bonini , SC , Brazil
Co-Authors:
Vinicius Rugeri Borges Bonini, Felipe Kraus, Laura Tatiana Meneses Barrera, Gabriel de Andrade Janene Gonini, Leonel R Cancino
Presenter: Felipe Kraus
doi://10.26678/ABCM.ENCIT2022.CIT22-0146
Abstract
NOX emissions are important parameters related to the pollutants released by systems that burn fossil fuels for power and work generation. Five known routes generate NOX compounds, these routes consider sequences of chemical reactions that best depict the evolution of the chemical species. Chemical kinetics mechanisms incorporate the chemical reactions, which are employed to better understand how the compounds are created along the combustion process. The kinetics mechanisms are important tools to understand the behavior of the chemical species; however, occasionally the mechanisms show some deviations in comparison to experimental data. These deviations resulted from the values used for the reaction rate coefficients, even though, it is necessary to verify which of the reactions most influences the result, and what is achieved using the sensitivity analysis. In this work, the A. Konnov’s DKM mechanism is studied, a detailed kinetics model available in the literature for the combustion of i-propanol and n-propanol. The mechanism is analyzed by using sensitivity analysis strategies, that process involves the assessment of the aforementioned kinetics model comparing the numerical predictions to experimental data also available at the literature. Another aspect of interest is the influence of the radiative and diffusive effects in the solution of the one-dimensional free flame. Along the sensitivity analysis, the most influencing reactions are pointed out and of this form, and tuned, to better reproduce the experimental data. The brute-force sensitivity and normalized sensitivity analyses were used. The most influencing reactions for NOX mole fraction prediction in the post-flame region were then elucidated and tuned.
Keywords
Nitric oxide, detailed chemical kinetics models, Brute force sensitivity analysis, CANTERA software
