Abstract
Improving the knowledge of the chemistry responsible for the formation and consumption of aromatic compounds in combustion systems is an area of interest from both a fundamental and a practical standpoint. The former is essentially concerned with chemical reactions forming species that grow very rapidly to thousands of carbon atoms. This occurs as soon as the fuel is in excess and the temperature higher than 1400 K. It is now widely accepted that benzene and phenyl formation constitutes the first step in this growth process that lead to polycyclic aromatic hydrocarbons (PAH) and ultimately soot particles. In addition to a contribution to atmospheric pollution, the presence of soot strongly influences the radiative properties of flames. Many consequences are then related to radiation from the soot particles, such as intense heating of mechanical pieces in engines and gas turbines. When combustion is not used for energy production but occurs accidentally as in fires, radiative heat transfer is also crucial as a dominant propagating process.
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References
Homann K.H., Mochizuki, M. and Wagner H.Gg., (1963) Über den Reaktionsablauf in fetten Kohlenwasserstoff-Flammen, I, Zeit. Für Phys. Chem., 37, 299–313.
Bonne U., Homann K.H., and Wagner H.Gg., (1965) Carbon Formation in Premixed Flames, Tenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 503–512.
Tompkins E.E. and Long, R. (1969), The Flux of Polycyclic aromatic Hydrocarbons and of Insoluble Material in Premixed Acetylene-Oxygen Flames., Twelfth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 625–634.
D’Alessio A., Di Lorenzo A, Beretta F. and Venitozzi C., (1973), Optical and Chemical Investigations on Fuel-Rich Methane-Oxygen Premixed Flames at Atmospheric Pressure, Fourteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 941–953.
Bittner J.D., and Howard, J.B., (1981) Composition profiles and Reaction mechanisms in a Near-Sooting Premixed benzene/Oxygen/Argon Flame, (1981), Eighteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 1105–1116.
Bockhom H., Fetting F. and Wenz H.W., (1983), Investigation of the Formation of High Molecular Hydrocarbons and Soot in Premixed Hydrocarbon-Oxygen Flames. Ber Bunsenges. Phys. Chem. 87, 1067–1073.
Prado G., Garo A. KO A. and Sarofim A., (1984) Polyclic Aromatic Hydrocarbons Formation and Destruction in a Laminar Diffusion Flame, Twentieth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 989–996.
Smyth K.C., Houston Miller J. Dorfman R.C., Mallard W.G. and Santoro R.J., (1985), Soot Inception in a Methane/Air Diffusion Flame as Characterized by Detailed Species Profiles, Comb. And Flame, 62, 157–181.
Bastin E., Delfau XL., Reuillon M. and Vovelle, C. (1987), Analyse par spectrométrie de masse de la structure d’une flamme de diffusion C2H2/O2/Ar. Journal de Chimie Physique, 84, 415–420.
Brezinski K., Burke E.J. and Glassman L., (1984), The High Temperature of Butadiene, Twentieth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 613–622.
Colket III M.B., (1986) The Pyrolysis of Acetylene and Vinylacetylene in a Single-Pulse Shock Tube. Twenty First Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 851–864.
Kern R.D., Singh H.J. and Wu C.H., (1988), Thermal Decomposition of 1,2 Butadiene, Int. J. of Chem. Kin., 20, 731–747.
Frenklach M., Clary D.W., Gardiner Jr W.C. and Stein S.E., (1984), Detailed Kinetic Modeling of Soot Formation in Shock-Tube Pyrolysis of Acetylene, Twentieth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 887–901.
Cole J.A, Bittner J.D., Longwell J.P. and Howard J.B. (1984), Formation of Aromatic Compounds in Aliphatic Flames, Comb. And Flame, 56, 51–70.
Frenklach M. and Wamatz J., (1987), Detailed Modeling of PAH Profiles in a Sooting Low-Pressure Acetylene Flame, Combust. Sci. And Technol., 51, 265–283.
Harris S.J., Weiner AM. and Blint R., (1988), Formation of Small Aromatic Molecules in a Sooting Ethylene Flame, Comb. And Flame, 72, 91–109.
Colket III M.B., Seery DJ. and Palmer H.B., (1989), The Pyrolysis of Acetylene Initiated by Acetone, Comb. And Flame, 75, 343–366.
Westmoreland P.R. and Dean AM., (1989), Forming benzene in Flames by Chemically Activated Isomerization, J. of Phys. Chem., 93, 8171–8180.
Stein S.E., Walker J.A., Suryan M.M. and Fahr A., (1990), A New Path to Benzene in Flames, Twenty-Third Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 85–90.
Pfefferle L.D., Boyle J. and Bermudez G., 1991, Benzene Formation during Allene Pyrolysis: Possible Implications for Soot Formation, Preprints of Papers presented at 202nd National Meeting, New York, Vol 36, 4, 1433–1439.
Westmoreland P.R., (1986), Experimental and Theoretical Analysis of Oxidation and Growth Chemistry in a Fuel-Rich Acetylene Flame., PhD Thesis, Massachusetts Institute of technology.
Bastin E., Delfau J.L., Reuillon M. and Vovelle C., (1988), Experimental and Computational Investigation of the Structure of a Sooting C2H2-O2-Ar Flame, Twenty-Second Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 213–322.
Miller J.A and Melius C.F., (1991), The Formation of benzene in Flames, Preprints of Papers presented at 202nd National Meeting, New York, Vol 36, 4, 1440–1446.
Miller J.A. and Melius C.F., (1992), Kinetic and Thermodynamic Issues in the Formation of Aromatic Compounds in Flames of Aliphatic Fuels, Comb. And Flame, 91, 21–39.
Seshadri K., Mauss F., Peters N. and Warnatz, J., (1990), A Flamelet calculation of Benzene Formation in Coflowing Laminar Diffusion Flames., Twenty-Third Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 559–566.
Douté C, Delfau J.L. and Vovelle C., (1994), Reaction Mechanism for Aromatics Formation in a Low Pressure, Premixed Acetylene-Oxygen-Argon Flame, 103, 153–173.
Wu C.H. and Kern R.D., (1987), Shock-Tube Study of Allene Pyrolysis. J. Phys. Chem., 91, 6291–6296.
Leung K.M. and Lindstedt R.P., (1995), Detailed Kinetic Modeling of C1-C3 Alkane Diffusion Flames, Comb, and Flame, 102, 129–160.
Tsuji H. and Yamaoka L., (1969), The Structure of Counterflow Diffusion Flames in the Forward Stagnation Region of a Porous Cylinder, Twelfth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 997–1005.
Tsuji H. and Yamaoka I., (1971), Structure Analysis of Counterflow Diffusion Flames in the Forward Stagnation Region of a Porous Cylinder, Thirteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 723–731.
Lindstedt R.P. and Skevis G., (1996), Benzene Formation Chemistry in Premixed 1,3-Butadiene Flames, Twenty-Sixth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 703–709.
Lindstedt R.P. and Skevis G., (1997), Chemistry of Acetylene Flames, Combust. Sci. and technology, 125, 73–137.
Vandooren J. and Van Tiggelen P.J., (1976), Reaction mechanisms of Combustion in Low Pressure Acetylene-Oxygen Flames, Sixteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, p. 1133.
Miller J.A., Volponi J.V., Durant J.L., Goldsmith J.E.M., Fisk G.A. and Kee R.J. (1990), The Structure and reaction mechanism of Rich, Non-Sooting C2H2/O2/Ar Flames. Twenty-Third Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 187–194.
Dryer F.L. and Brezinski K. (1986), A Flow reactor Study of the Oxidation of n-octane and iso-octane. Combust. Sci. and Technol., 45, 199.
Chakir A., Bellimam M., Boettner J.C and Cathonnet M., (1992), Kinetic Study of n-heptane Oxidation. Int. J. Chem. Kinet, 24, 385.
Dagaut P., Reuillon M. and Cathonnet M., (1994), High Pressure Oxidation of Liquid Fuels From Low to High tempertaure. 1. N-Heptane and iso-Octane. Combust. Sci. and Technol., 95, 233.
Abdel-Khalid S.I., Tamara T., El-Wakil M., (1975), A Chromatographie Study of the Diffusion Flame Around a Simulated Fuel Drop. Fifteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 389.
Hamins A. and Seshadri K., (1987), The Structure of Diffusion Flames Burning Pure, Binary and Ternary Solutions of Methanol, Heptane and Toluene, Comb. And Flame, 68, 295.
Bui-Pham M. and Seshadri K., (1991), Comparaison Between Experimental Measurements and Numerical calculations of the Structure of Heptane-Air Diffusion Flames. Combust. Sci. And Technol., 79, 293–310.
Axelsson E.I. and Rosengren L.G., (1985), iso-Octane Combustion in a Flat Flame. Comb, and Flame, 62, 91.
Douté C, Delfau J.L., Akrich R. and Vovelle C., (1997), Experimental Study of the Chemical Structure of Low-Pressure Premixed n-Heptane-O2-Ar and iso-Octane-O2-Ar Flames., Combust. Sci. And Technol., 124, 249–276.
El Bakali A., Delfau J.L. and Vovelle C., (1998), Experimental Study of 1 Atmosphere, Rich, Premixed n-Heptane and iso-Octane Flames. Combust. Sci. and Technol., in press.
Douté C, Delfau J.L. and Vovelle C., (1997), Modeling of the Structure of a Premixed n-Decane Flame., Combust Sci. And Technol., 130, 269–313.
Venkat C, Brezinski K. and Glassman I., (1982), High temperature Oxidation of Aromatic Hydrocarbons, Nineteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 143–152.
Lovell A.B., Brezinski K. and Glassman I., (1988), Benzene Oxidation Perturbed by NO2 Addition, Twenty-Second Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 1063–1074.
Bittker D.A., (1991), Detailed Reaction Mechanism for Oxidation of Benzene, Combust. Sci. And Technol., 79, 49–72.
Burcat A., Zeleznik FJ. and Brabbs B.J., (1986), Ignition Delay Times of Benzene and Toluene with Oxygen in Argon Mixtures, NASA-Technical Memorandum 87312.
Brezinski K., (1986), The High Temperature Oxidation of Aromatic Compounds, Prog. Energy Combust. Sci., 12, 1.
Chevalier C. and Warnatz J., (1991), A Tentative Detailed Mechanism Scheme for the Oxidation of Benzene-Air Mixtures, Division of Fuel Chemistry, American Chemical Society, New York, 36(4), 1486–1493.
Fujii N. and Asaba T., (1977), J. Fac. of Eng. Univ. of Tokyo (B) XXXIV, No 1, 189.
Gibbs, GJ. and Calcote H.F., (1959), J. Chem and Eng. Data 4, 226–237.
Emdee J.L., Brezinski K. and Glassman I., (1992), A Kinetic Model for the Oxidation of Tolouene near 1200K., J. Phys. Chem., 96, 2151–2161.
Lindstedt R.P. and Skevis G., (1994), Detailed Reaction mechanism of premixed benzene Flames, Combust, and Flame, 99, 551–561.
Zhang H.Y. and McKINNON J.T., (1995), Elementary Reaction Modeling of High-Temperture Benzene Combustion, Combust. Sci. and Technol., 107, 261–300.
Tan Y. and Frank P., (1996), A Detailed Comprehensive Kinetic Model for benzene Oxidation using the Recent Kinetic Results, Twenty-Sixth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 677–684.
Frank P., Herzler J., Just Th. and Wahl C., (1994), Twenty-Fifth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 833–840.
Goloniva E.S. and Fyodorov G.G., (1956), Sixth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 88–96.
Davis S.G., Wang H., Brezinski K. and Law C.K., (1996), Laminar Flame Speeds and Oxidation Kinetics of Benzene-Air and Toluene-Air Flames, Twenty-Sixth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 1025–1033.
Astholz D.C., Durant J. and Troe I., (1981), Thermal Decomposition of Toluene and of Benzyl Radicals in Shock Waves, (1981), Eighteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 885–892.
Kern R.D., Singh, HJ., Esslinger M.A and Winkeler, (1982), Product Profiles Observed During The Pyrolysis of Toluene, Benzene, Butadiene and Acetylene, Nineteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 1351–1358.
Singh HJ. and Kern R.D., (1983), Pyrolysis of Benzene behind Reflected Shock Waves, Combust, and Flame, 54, 49–59.
Rao V.S. and Skinner G.B., (1984), Formation of D and H atoms in the Pyrolysis of Benzene-d6 and Cholorobenzene behind Shock Waves, J. Phys. Chem., 88, 5990–5995.
Kiefer J.H., Mizerka L.J. Patel M.R. and Wei H.C., (1985), A Shock Tube Investigation of Major Pathways in the High Temperature Pyrolysis of Benzene, J. Phys. Chem., 89, 2013–2019.
Braun-Unkhoff, Frank P. and Just Th, (1988), A Shock Study on The Thermal Decomposition of Toluene and of the Penyl Radical at High Temperatures, Twenty-Second Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 1053–1061.
Laskin A. and Lifshitz A., (1996), Thermal Decomposition of Benzene. Single-Pulse Shock Tube Investigation, Twenty-Sixth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 669–675.
Alkemade, U. and Homann, K.H. (1989), Formation of C6H6 Isomers by Recombination of Propynyl in the System Sodium Vapour/Propynylhalide, Zeitschrift fur Physikalische Chemie Neue Folge, Bd, 161, 19–34.
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Vovelle, C., Delfau, J.L. (2000). Formation of Aromatics in Combustion Systems. In: Vovelle, C. (eds) Pollutants from Combustion. NATO Science Series, vol 547. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-4249-6_10
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DOI: https://doi.org/10.1007/978-94-011-4249-6_10
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