Kinetics of Hexane Combustion in a Shock Tube

“…In 1996, Burcat et al measured ignition delay times for n-hexane-oxygen-argon mixtures in a shock tube over the temperature range of 1020-1725 K at pressures of 1-7 atm [23]. A mechanism with 386 elementary reactions was validated against the experimental results.…”

Section: Introductionmentioning

confidence: 99%

An experimental and kinetic modeling study of n -hexane oxidation

Zhang

Banyon

Togbé

et al. 2015

Combustion and Flame

132

102

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“…The model of Mével better matches the data obtained at low temperature whereas the model of Livermore better reproduces the data at high temperature.Blanquart's and Mével's model demonstrate a mean error around 42% whereas Liv-ermore's model exhibits a mean error of 63%. InFigure 7, the predictions of the three models are compared to the experimental temperature resolved species profiles fromBurcat et al (1996). Mével's model gives the best quantitative agreement among the three models.…”

mentioning

confidence: 99%

Chemical Kinetics of n-Hexane-Air Atmospheres in the Boundary Layer of a Moving Hot Sphere

Mével

Niedzielska

Melguizo-Gavilanes

et al. 2016

Combustion Science and Technology

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The present paper focuses on the chemical kinetics of the ignition of premixed nhexane-air atmospheres by a moving hot sphere with emphasis on the role of lowtemperature chemistry (T<1000 K). Experiments were performed to measure the minimum surface temperature for ignition of a propagating flame and non-reactive two-dimensional simulations were performed to estimate the temperature a parcel of fluid experiences as it travels within the thermal boundary layer near the surface of the sphere. Reactive simulations using detailed reaction models and a one-step model were used to investigate the chemical reaction dynamics in a constant pressure reactor with a variable heat transfer coefficient which reproduces the temperature history. It was found that, under the specific conditions studied, the chemistry is activated at T>1000 K with no noticeable impact of the low-temperature chemical pathways.

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“…For hexane, the C1–C4 model of Wang et al (Wang et al, 2007) is used as a basis, as in our previous work (Babushok et al, 2012), with the work of Burcat et al (Burcat et al, 1996) providing decomposition pathways down to C1–C4 species. The bromine-species reactions (Br-C-H-O) are extracted from a recently-developed mechanism for C 3 H 2 F 3 Br flame inhibition (Babushok et al, 2015).…”

Section: Kinetic Models and Modeling Proceduresmentioning

confidence: 99%

Influence of Antimony-Halogen Additives on Flame Propagation

Babushok

Deglmann²,

Krämer

et al. 2016

Combustion Science and Technology

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A kinetic model for flame inhibition by antimony-halogen compounds in hydrocarbon flames is developed. Thermodynamic data for the relevant species are assembled from the literature, and calculations are performed for a large set of additional species of Sb-Br-C-H-O system. The main Sb- and Br-containing species in the combustion products and reaction zone are determined using flame equilibrium calculations with a set of possible Sb-Br-C-H-O species, and these are used to develop the species and reactions in a detailed kinetic model for antimony flame inhibition. The complete thermodynamic data set and kinetic mechanism are presented. Laminar burning velocity simulations are used to validate the mechanism against available data in the literature, as well as to explore the relative performance of the antimony-halogen compounds. Further analysis of the premixed flame simulations has unraveled the catalytic radical recombination cycle of antimony. It includes (primarily) the species Sb, SbO, SbO2, and HOSbO, and the reactions: Sb+O+M=SbO+M; Sb+O2+M=SbO2+M; SbO+H=Sb+OH; SbO+O=Sb+O2; SbO+OH+M=HOSbO+M; SbO2+H2O=HOSbO+OH; HOSbO+H=SbO+H2O; SbO+O+M=SbO2+M. The inhibition cycles of antimony are shown to be more effective than those of bromine, and intermediate between the highly effective agents CF3Br and trimethylphosphate. Preliminary examination of a Sb/Br gas-phase system did not show synergism in the gas-phase catalytic cycles (i.e., they acted essentially independently).

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Kinetics of Hexane Combustion in a Shock Tube

Cited by 15 publications

References 11 publications

An experimental and kinetic modeling study of n -hexane oxidation

An experimental and kinetic modeling study of n -hexane oxidation

Chemical Kinetics of n-Hexane-Air Atmospheres in the Boundary Layer of a Moving Hot Sphere

Influence of Antimony-Halogen Additives on Flame Propagation

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