Local and global uncertainty analyses of a methane flame model

Judit Zádor, István Gy Zsély, Tamás Turányi, Marco Ratto, Stefano Tarantola, Andrea Saltelli

Research output: Article

65 Citations (Scopus)

Abstract

Local and global uncertainty analyses of a flat, premixed, stationary, laminar methane flame model were carried out using the Leeds methane oxidation mechanism at lean (φ = 0.70), stoichiometric (φ = 1,00), and rich (φ = 1.20) equivalence ratios. Uncertainties of laminar flame velocity, maximal flame temperature, and maximal concentrations of radicals H, O, OH, CH, and CHa were investigated. Global uncertainty analysis methods included the Morris method, the Monte Carlo analysis with Latin hypercube sampling, and an improved version of the Sobol' method. Assumed probability density functions (pdfs) were assigned to the rate coefficients of all the 175 reactions and to the enthalpies of formation of the 37 species. The analyses provided the following answers: approximate pdfs and standard deviations of the model results, minimum and maximum values of the results at any physically realistic parameter combination, and the contribution of the uncertainty of each parameter to the uncertainty of the model result. The uncertainty of a few rate parameters and a few enthalpies of formation causes most of the uncertainty of the model results. Most uncertainty comes from the inappropriate knowledge of kinetic data, but the uncertainty caused by thermodynamic data is also significant.

Original languageEnglish
Pages (from-to)9795-9807
Number of pages13
JournalJournal of Physical Chemistry A
Volume109
Issue number43
DOIs
Publication statusPublished - nov. 3 2005

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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