Optimization of a hydrogen combustion mechanism using both direct and indirect measurements

T. Varga, T. Nagy, C. Olm, I. Zsély, R. Pálvölgyi, Valkó, G. Vincze, M. Cserháti, H. J. Curran, T. Turányi

Research output: Contribution to journalArticle

58 Citations (Scopus)

Abstract

The Kéromnès et al. (2013) mechanism for hydrogen combustion has been optimized using a large set of indirect experimental data, consisting of ignition measurements in shock tubes (566 datapoints in 43 datasets) and rapid compression machines (219/19), and flame velocity measurements (364/59), covering wide ranges of temperature (800 K-2300 K), pressure (0.1 bar-65 bar) and equivalence ratio (φ = 0.2-5.0). According to the sensitivity analysis carried out at each experimental datapoint, 30 Arrhenius parameters and 3 third body collision efficiency parameters of 11 elementary reactions could be optimized using these experimental data. 1749 directly measured rate coefficient values in 56 datasets belonging to the 11 reaction steps were also utilized. Prior uncertainty ranges of the rate coefficients were determined from literature data. Mechanism optimization has led to a new hydrogen combustion mechanism, a set of newly recommended rate parameters with their covariance matrix, and temperature-dependent posterior uncertainty ranges of the rate coefficients. The optimized mechanism generated here was tested together with 13 recent hydrogen combustion mechanisms and proved to be the best one.

Original languageEnglish
Pages (from-to)589-596
Number of pages8
JournalProceedings of the Combustion Institute
Volume35
Issue number1
DOIs
Publication statusPublished - 2015

Fingerprint

Hydrogen
optimization
hydrogen
Shock tubes
Covariance matrix
Velocity measurement
coefficients
Sensitivity analysis
Ignition
shock tubes
sensitivity analysis
Temperature
velocity measurement
ignition
equivalence
flames
coverings
collisions
temperature
Uncertainty

Keywords

  • Detailed mechanisms
  • Hydrogen combustion
  • Mechanism optimization
  • Parameter uncertainty

ASJC Scopus subject areas

  • Mechanical Engineering
  • Chemical Engineering(all)
  • Physical and Theoretical Chemistry

Cite this

Optimization of a hydrogen combustion mechanism using both direct and indirect measurements. / Varga, T.; Nagy, T.; Olm, C.; Zsély, I.; Pálvölgyi, R.; Valkó; Vincze, G.; Cserháti, M.; Curran, H. J.; Turányi, T.

In: Proceedings of the Combustion Institute, Vol. 35, No. 1, 2015, p. 589-596.

Research output: Contribution to journalArticle

Varga, T. ; Nagy, T. ; Olm, C. ; Zsély, I. ; Pálvölgyi, R. ; Valkó ; Vincze, G. ; Cserháti, M. ; Curran, H. J. ; Turányi, T. / Optimization of a hydrogen combustion mechanism using both direct and indirect measurements. In: Proceedings of the Combustion Institute. 2015 ; Vol. 35, No. 1. pp. 589-596.
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