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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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References

Hermann, F., Klingmann, J., Gabrielsson, R., Pedersen, J. R., Olsson, J. O., and Owrang, F., 2006, “Chemical Analysis of Combustion Products From a High-Pressure Gas Turbine Combustor Rig Fueled by Jet A1 Fuel and a Fischer-Tropsch-Based Fuel,” ASME Turbo Expo2006, Power for Land, Sea, and Air, Barcelona, Spain, May 8–11, ASME Paper No. GT2006-90600. [CrossRef]
Corporan, E., DeWitt, M. J., Belovich, V., Pawlik, R., Lynch, A. C., Gord, J. R., and Meyer, T. R., 2007, “Emissions Characteristics of a Turbine Engine and Research Combustor Burning a Fischer-Tropsch Jet Fuel,” Energy Fuels, 21(5), pp. 2615–2626. [CrossRef]
Gokulakrishnan, P., Klassen, M. S., and Roby, R. J., 2008, “Ignition Characteristics of a Fischer-Tropsch Synthetic Jet Fuel,” ASME Turbo Expo, Berlin, June 9–13, ASME Paper No. GT2008-51211. [CrossRef]
Huber, M. L., Smith, B. L., Ott, L. S., and Bruno, T. J., 2008, “Surrogate Mixture Model for the Thermophysical Properties of Synthetic Aviation Fuel S-8: Explicit Application of the Advanced Distillation Curve,” Energy Fuels, 22(2), pp. 1104–1114. [CrossRef]
Starck, L., Pidol, L., Jeuland, N., Grosjean, F., Lefebvre, C., Sicard, M., Raepsaet, B., Ancelle, J., Ser, F., Lützow, M., and Wahl, C., 2011, “Report on Fuel Comprehensive Characterization (D16),” EU FP7 Project ALFA-BIRD, Alternative Fuels and Biofuels for Aircraft Development: EUFP7/2007-2013, Grant Agreement No. 213266.
Naik, C. V., Puduppakkam, K. V., Modak, A., Meeks, E., Wang, Y. L., Feng, Q., and Tsotsis, T. T., 2011, “Detailed Chemical Kinetic Mechanism for Surrogates of Alternative Jet Fuels,” Combust. Flame, 158(3), pp. 434–445. [CrossRef]
Saffaripour, M., Veshkini, A., Kholghy, M., and Thomson, M. J., 2014, “Experimental Investigation and Detailed Modeling of Soot Aggregate Formation and Size Distribution in Laminar Coflow Diffusion Flames of Jet A-1, a Synthetic Kerosene, and n-Decane,” Combust. Flame, 161(3), pp. 848–863. [CrossRef]
Kahandalawa, M. S. P., Dewitt, M. J., Corporan, E., and Sidhu, S., 2008, “Ignition and Emission Characteristics of Surrogate and Practical Jet Fuels,” Energy Fuels, 22(6), pp. 3673–3679. [CrossRef]
Rye, L., Blakey, S., and Wilson, C. W., 2010, “Sustainability of Supply or the Planet: A Review of Potential Drop-in Alternative Aviation Fuels,” Energy Environ. Sci., 3(1), pp. 17–27. [CrossRef]
Wang, H., and Oehlschlaeger, M. A., 2012, “Autoignition Studies of Conventional and Fischer–Tropsch Jet Fuels,” Fuel, 98, pp. 249–258. [CrossRef]
Dagaut, P., Cathonnet, M., Rouan, J. P., Foulatier, R., Quilgars, A., Boettner, J. C., Gaillard, F., and James, H., 1986, “A Jet-Stirred Reactor for Kinetic-Studies of Homogeneous Gas-Phase Reactions at Pressures Up to 10 atm (∼1 MPa),” J. Phys. E: Sci. Instrum., 19(3), pp. 207–209. [CrossRef]
Mzé-Ahmed, A., Hadj-Ali, K., Diévart, P., and Dagaut, P., 2010, “Kinetics of Oxidation of a Synthetic Jet Fuel in a Jet-Stirred Reactor: Experimental and Modeling Study,” Energy Fuels, 24(9), pp. 4904–4911. [CrossRef]
Le Cong, T., Dagaut, P., and Dayma, G., 2008, “Oxidation of Natural Gas, Natural Gas/Syngas Mixtures, and Effect of Burnt Gas Recirculation: Experimental and Detailed Kinetic Modeling,” ASME J. Eng. Gas Turbines Power, 130(4), p. 041502. [CrossRef]
Kee, R. J., Rupley, F. M., and Miller, J. A., 1989, “CHEMKIN-II: A FORTRAN Chemical Kinetics Package for the Analysis of Gas-Phase Chemical Kinetics,” Sandia National Laboratories, Livermore, CA, Report No. SAND89-8009.
Glarborg, P., Kee, R. J., Grcar, J. F., and Miller, J. A., 1986, “PSR: “A FORTRAN Program for Modelling Well-Stirred Reactors,” Sandia National Laboratories, Livermore, CA, Report No. SAND86-8209.
Mzé-Ahmed, A., Hadj-Ali, K., Dagaut, P., and Dayma, G., 2012, “Experimental and Modeling Study of the Oxidation Kinetics of n-Undecane and n-Dodecane in a Jet-Stirred Reactor,” Energy Fuels, 26(7), pp. 4253–4268. [CrossRef]
Karsenty, F., Sarathy, S. M., Togbé, C., Westbrook, C. K., Dayma, G., Dagaut, P., Mehl, M., and Pitz, W. J., 2012, “Experimental and Kinetic Modeling Study of 3-Methylheptane in a Jet-Stirred Reactor,” Energy Fuels, 26(8), pp. 4680–4689. [CrossRef]
Diévart, P., 2008, “Oxidation and Combustion Under Ultra-Lean Conditions of Diesel-Relevant Fuels: Experimental Study in a Jet-Stirred Reactor and Modelling,” Ph.D. thesis, University Lille 1, Lille, France.
Togbé, C., Dagaut, P., Mzé-Ahmed, A., Hadj-Ali, K., and Diévart, P., 2010, “Experimental and Detailed Kinetic Modeling Study of 1-Hexanol Oxidation in a Pressurized Jet-Stirred Reactor and a Combustion Bomb,” Energy Fuels, 24(11), pp. 5858–5875. [CrossRef]
Wang, H., Dames, E., Sirjean, B., Sheen, D. A., Tangko, R., Violi, A., Lai, J. Y. W., Egolfopoulos, F. N., Davidson, D. F., Hanson, R. K., Bowman, C. T., Law, C. K., Tsang, W., Cernansky, N. P., Miller, D. L., and Lindstedt, R. P., 2010, “A High-Temperature Chemical Kinetic Model of n-Alkane (Up to n-Dodecane), Cyclohexane, and Methyl-, Ethyl-, n-Propyl and n-Butyl-Cyclohexane Oxidation at High Temperatures,” JetSurF Version 2.0, Sept. 19, 2010, http://melchior.usc.edu/JetSurF/JetSurF2.0
Mzé-Ahmed, A., 2011, “Experimental and Modeling Study of Combustion of High Alkanes, Reformulated Kerosenes and Surrogate Fuels-Pollutants Formation,” Ph.D. thesis, University of Orléans, Orléans, France.
Vasu, S. S., Davidson, D. F., Hong, Z., Vasudevan, V., and Hanson, R. K., 2009, “n-Dodecane Oxidation at High-Pressures: Measurements of Ignition Delay Times and OH Concentration Time-Histories,” Proc. Combust. Inst., 32(1), pp. 173–180. [CrossRef]

Figures

Grahic Jump Location
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).

Grahic Jump Location
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).

Grahic Jump Location
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

Grahic Jump Location
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)

Grahic Jump Location
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)

Grahic Jump Location
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)

Grahic Jump Location
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)

Grahic Jump Location
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)

Grahic Jump Location
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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