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Research Papers: Gas Turbines: Combustion, Fuels, and Emissions

Kinetics of Oxidation of a 100% Gas-to-Liquid Synthetic Jet Fuel and a Mixture GtL/1-Hexanol in a Jet-Stirred Reactor: Experimental and Modeling Study

[+] Author and Article Information
Amir Mzé-Ahmed, Guillaume Dayma, Pascal Diévart

CNRS-INSIS,
ICARE,
1C, Avenue de la Recherche Scientifique,
Orléans Cedex 2 45071, France

Philippe Dagaut

CNRS-INSIS,
ICARE,
1C, Avenue de la Recherche Scientifique,
Orléans Cedex 2 45071, France
e-mail: dagaut@cnrs-orleans.fr

Contributed by the Combustion and Fuels Committee of ASME for publication in the JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER. Manuscript received July 9, 2014; final manuscript received July 16, 2014; published online August 26, 2014. Editor: David Wisler.

J. Eng. Gas Turbines Power 137(1), 011503 (Aug 26, 2014) (7 pages) Paper No: GTP-14-1346; doi: 10.1115/1.4028259 History: Received July 09, 2014; Revised July 16, 2014

Research activities on the combustion of synthetic jet fuels and bioderived jet fuels have increased notably over the last 10 yr in order to solve the challenging reduction of dependence of air transportation on petroleum. Within the European Community's Seventh Framework Programme, the combustion of a 100% GtL from Shell and a 80/20% vol. GtL/1-hexanol blend were studied in a jet-stirred reactor (JSR). This synthetic GtL fuel mainly contains n-alkanes, iso-alkanes, and cyclo-alkanes. We studied the oxidation of these alternative jet fuels under the same conditions (temperature, 550–1150 K; pressure, 10 bar; equivalence ratio, 0.5–2; initial fuel concentration, 1000 ppm). For simulating the oxidation kinetics of these fuels we used a new surrogate mixture consisting of n-dodecane, 3-methylheptane, n-propylcyclohexane, and 1-hexanol. A detailed chemical kinetic reaction mechanism was developed and validated by comparison with the experimental results obtained in a JSR. The current model was also tested for the auto-ignition of the GtL fuel under shock tubes conditions (φ = 1 and P = 20 atm) using data from the literature. Kinetic computations involving reaction paths analyses and sensitivity analyses were used to interpret the results. The general findings are that the GtL and GtL/hexanol blend have very similar reactivity to Jet A-1, which is important since GtL is a drop-in fuel that should have similar performance to the Jet A-1 baseline and 1-hexanol should not significantly affect the reactivity if it is to be used as an additive.

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Figures

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Fig. 2

Concentrations profiles obtained from the oxidation of the GtL/1-hexanol mixture in a JSR at 10 bar, τ = 1 s and φ = 1. The initial mole fractions were: XHC = 0.1%; XO2 = 1.86%; XN2 = 98.05%. Experimental data (large symbols) are compared to the computations (lines and small symbols).

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Fig. 3

Species concentration profiles from the oxidation of 1000 ppm of GtL (open symbols) and Jet A-1 (closed symbols) in JSR at 10 bar, τ = 1 s and φ = 1

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Fig. 1

Concentrations profiles obtained from the oxidation of the GtL in a JSR at 10 bar, τ = 1 s and φ = 1. The initial mole fractions were: XHC = 0.1%; XO2 = 16.2%; XN2 = 98.28%. Experimental data (large symbols) are compared to the computations (lines and small symbols).

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Fig. 4

Normalized concentrations of main unburned species formed during the oxidation of the GtL (open symbols) and the GtL/1-hexanol blend (closed symbols) in a JSR (P = 10 bar, τ = 1 s, and φ = 1)

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Fig. 5

Sensitivity spectrum for CO2 during the oxidation of GtL in a JSR at φ = 1 and T = 640 K (P = 10 bar and τ = 1 s)

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Fig. 6

Sensitivity spectrum for CO2 during the oxidation of the GtL/1-hexanol blend in a JSR at φ = 1 and T = 640 K (P = 10 bar and τ = 1 s)

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Fig. 7

Sensitivity spectrum for CO2 during the oxidation of GtL in a JSR at φ = 1 and T = 1150 K (P = 10 bar and τ = 1 s)

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Fig. 8

Sensitivity spectrum for CO2 during the oxidation of the GtL/1-hexanol blend in a JSR at φ = 1 and T = 1150 K (P = 10 bar and τ = 1 s)

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Fig. 9

Comparison between ignition delay times measurements by Wang and Oehlschlaeger [10] (Shell GtL, open symbols) and Vasu et al. [22] (n-dodecane, stars), modeling of Naik et al. [6] (dotted line), the present modeling results for GtL (dashed dotted line) and n-dodecane predictions (solid line)

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