Kinetic analysis of ethyl iodide pyrolysis based on shock tube measurements

Tamás Varga, I. Zsély, T. Turányi, Tobias Bentz, Matthias Olzmann

Research output: Contribution to journalArticle

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Abstract

The optimization of a kinetic mechanism of the pyrolysis of ethyl iodide was carried out based on data obtained from reflected shock wave experiments with H-ARAS and I-ARAS detection. The analysis took into account also the measurements of Michael et al. (Chem. Phys. Lett. 2000, 319, 99-106) and Vasileiadis and Benson (Int. J. Chem. Kinet. 1997, 29, 915-925) of the reaction H2 + I = H + HI. The following Arrhenius parameters were determined for the temperature range 950-1400 K and the pressure range 1-2 bar: C 2H5I → C2H5 + I: log 10(A) = 13.53, E/R = 24,472 K; C2H5I → C2H4 + HI: log10(A) = 13.67, E/R = 27,168 K; H + HI → H2 + I: log10(A) = 13.82, E/R = 491 K; C 2H5I + H →C2H5 + HI: log 10(A) = 15.00, E/R = 2593 K (the units of A are cm3, mol, s). The joint covariance matrix of the optimized Arrhenius parameters was also determined. This covariance matrix was converted to the temperature-dependent uncertainty parameters f of the rate coefficients and also to the temperature-dependent correlation coefficients between pairs of rate coefficients. Each fitted rate coefficient was determined with much lower uncertainty compared to the estimated uncertainty of the data available in the literature.

Original languageEnglish
Pages (from-to)295-304
Number of pages10
JournalInternational Journal of Chemical Kinetics
Volume46
Issue number6
DOIs
Publication statusPublished - 2014

Fingerprint

Shock tubes
shock tubes
Iodides
iodides
Uncertainty
pyrolysis
Shock
Pyrolysis
Covariance matrix
Kinetics
Temperature
kinetics
coefficients
correlation coefficients
Shock waves
temperature
shock waves
Joints
Pressure
optimization

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Biochemistry

Cite this

Kinetic analysis of ethyl iodide pyrolysis based on shock tube measurements. / Varga, Tamás; Zsély, I.; Turányi, T.; Bentz, Tobias; Olzmann, Matthias.

In: International Journal of Chemical Kinetics, Vol. 46, No. 6, 2014, p. 295-304.

Research output: Contribution to journalArticle

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