Acetylene Oxidation in a JSR From 1 to 10 Atm and Comprehensive Kinetic Modeling

References

• Bastin , E. ( 1987 ), Etude du Mecanismede Formation des Particulesde Suies dans des Flammes C2H2/O2/Ar These de I'Universite Paris , V1 .
   Google Scholar
• Bastin , E. , Delfau , J.-L. , Reuillon , M. , Vovelle , C. and Warnatz , J. ( 1989 ). Experimental and computational investigation of the structure of a sooting C2H2O2-Ar Flame. 22nd Symposium (International) on Combustion , The Combustion Institute, 313 .
   Google Scholar
• Baulch , D. L. , Cobos , C. J. , Cox , R. A. , Esser , C. , Frank , P. , Just , Th. , Kerr , J. A. , Pilling , M. J. , Troe , J. , Walker , R. W. and Warnatz , J. ( 1992 ). Evaluated Kinetic Data for Combustion Modelling , J. Phys, Chem. Ref. Data. , 21 , 441 .
   Web of Science ®Google Scholar
• Bittker , D. A. ( 1991 ). Detailed Mechanism for Oxidation of Benzene , Combust. Sci. and Tech. , 79 , 49 .
   Web of Science ®Google Scholar
• Braun-Unkhoff , M. , Naumann , C. and Frank , P. ( 1994 ). A shock tube study of the reaction CH3 + O2 , to be published.
   Google Scholar
• Cole , J. A. , Bittner , J. D. , Longwell , J. P. and Howard , J. B. ( 1984 ). Formation Mechanisms of Aromatic Compounds in Aliphatic Flames , Combust. Flame , 56 , 51 .
   Web of Science ®Google Scholar
• Dagaut , P. , Cathonnet , M. , Rouan , J. P. , Foulatier , A. , 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 Ten Atmospheres ( ≈1 MPa) , J. Phys. E. Sci. Instrum. , 19 , 207 .
   Google Scholar
• Dagaut , P. , Cathonnet , M. and Boettner , J. C. ( 1990 a). Propyne Oxidation : A Kinetic Modeling Study , Combust. Sci. and Tech. , 71 , 111 .
   Web of Science ®Google Scholar
• Dagaut , P. , Boettner , J. C. and Cathonnet , M. ( 1990 b). Ethylene oxidation: A kinetic modeling study , Int. J.Chem. Kinet. , 22 , 641 .
   Web of Science ®Google Scholar
• Dagaut , P. , Boettner , J. C. and Cathonnet , M. ( 1991 a). Methane oxidation: Experimental and kinetic modeling study , Combust. Sci. and Tech. , 77 , 127 .
   Web of Science ®Google Scholar
• Dagaut , P. , Cathonnet , M. and Boettner , J. C. ( 1991 b). Kinetics of ethane oxidation , Int. J. Chem. Kinet. , 23 , 347 .
   Web of Science ®Google Scholar
• Dagaut , P. , Tan , Y. , Revel , J. , Boettner , J. C. and Cathonnet , M. ( 1992 a). Kinetics of Premixed Laminar One-Dimensional Freely Propagating Flames , J. Chim. Phys. , 89 , 1373 .
   Web of Science ®Google Scholar
• Dagaut , P. , M. Cathonnet , and Boettner , J. C. ( 1992 b). A kinetic modeling study of propene oxidation in JSR and Flame , Combust. Sci. and Tech. , 83 , 167 .
   Web of Science ®Google Scholar
• Dagaut , P. , Cathonnet , M. and Boettner , J. C. ( 1990 c). Kinetic modeling of propane oxidation and pyrolysis , Int. J. Chem. Kinet. , 24 , 813 .
   Web of Science ®Google Scholar
• Egolfopoulous , F. N. , Zhu , D. L. , and Law , C. K. ( 1990 ). Experimental and Numerical Determination of Laminar Flame Speeds: Mixtures of C2-Hydrocarbons with Oxygen and Nitrogen, 23rd Symposium (International) on Combustion , The Combustion Institute, 471 .
   Google Scholar
• Frenklach , M. , Clary , D. W. , Yuan , T. , Gardiner , Jr. , W. C. and Stein , S. E. ( 1986 ). Mechanisms of Soot Formation in Acetylene-Oxygen Mixtures , Combust. Sci. and Tech. , 50 , 79 .
   Web of Science ®Google Scholar
• Frenklach , M. and Warnatz , J. ( 1987 ). Detailed Modeling of PAH Profiles in a Sooting Low-Pressure Acetylene Flame , Combust. Sci. and Tech. , 51 , 265 .
   Web of Science ®Google Scholar
• Frenklach , M. , Wang , H. and Rabinowitz , M. J. ( 1992 ). Optimization and Analysis of Large Chemical Kinetic Mechanisms Using the Solution Mapping Method-Combustion of Methane , Prog. Energy Combust. Sci. , 18 , 417 .
   Web of Science ®Google Scholar
• Gibbs , G. J. and Calcote , H. F. ( 1959 ). Effect of Molecular Structure on Burning Velocity , J. Chemical and Engineering Data , 4 , No. 3 , 226 .
   Google Scholar
• Gilbert , M. ( 1956 ). Influence of Pressure on Flame Speed , 6th Symposium (International) on Combustion , The Combustion Institute, 75 .
   Google Scholar
• Giinther , R. and Janish , G. ( 1971 ). MeBwerte der Flammengeschwindigkeit von Gasen und Gasgemischen , Chemie Ing. Techn. , 43 , 975 .
   Web of Science ®Google Scholar
• Homer , J. B. and Kistiakowsky , G. B. ( 1967 ). Oxidation and Pyrolysis of Ethylene in Shock Waves , J. Chem. Phys. , 47 , 5290 .
   Web of Science ®Google Scholar
• Jachimowski , C.J. ( 1977 ). An Experimental and Analytical Study of Acetylene and Ethylene Oxidation behind Shock Waves , Combust. Flame , 29 , 55 .
   Web of Science ®Google Scholar
• Kee , R. J. , Grcar , J. F. , Smooke , M. D. and Miller , J. A. ( 1985 ). A FORTRAN Program for Modeling Steady Laminar One-Dimensional Premixed Flame , Sandia Report , SAND85-8240.
   Google Scholar
• Lin , C. Y. and Lin , M. C. (1987). Kinetics of the C6H5 + O2 Reaction. Combustion Institute. Eastern State Section. Fall Technical Meeting , pp. 7.1–7.3
   Google Scholar
• Liu , A. , Mulac , W. A. and Jonah , C. D. ( 1988 ). Temperature dependence of the rate constants of the reactions of OH radicals with C2H2 and C2D2 at 1 atm in Ar and from 333 to 1273 K , J. Phys. Chem , 92 , 5942 .
   Web of Science ®Google Scholar
• Michael , J. V. and Wagner , A. F. ( 1990 ). Rate Constants for the Reactions O + C2H, and O + C2D2→Products, over the Temperature Range ~ 850-1950 K, by the Flash Photolysis-Shock Tube Technique. Determination of the Branching Ratio and a Further Theoretical Analysis , J. Phys. Chem. , 94 , 2453 .
   Web of Science ®Google Scholar
• Miller , J. A. , Mitchell , R. E. , Smooke , M. D. and Kee , R. J. ( 1982 ). Toward a Comprehensive Chemical Kinetic Mechanism for the Oxidation of Acetylene: Comparison of Model Predictions with Results from Flame and Shock Tube Experiments, 19th Symposium (International) on Combustion , The Combustion Institute, 181 .
   Google Scholar
• Miller , J. A. , Volponi , J. V. , Durant Jr ., 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, 23rd Symposium (International) on Combustion , The Combustion Institute, 187 .
   Google Scholar
• Miller , J. A. and Melius , C. F. ( 1992 ). Kinetic and Thermodynamic Issues in the Formation of Aromatic Compounds in Flames of Aliphatic Fuels , Combust. Flame , 91 , 21 .
   Web of Science ®Google Scholar
• Nico vich , J. M. , Gump , C. A. and Ravishankara , A. R. ( 1982 ). Rates of Reactions of O(3 P) with benzene and toluene , J. Phys. Chem. , 86 , 1684 .
   Web of Science ®Google Scholar
• Ohmori , K. , Yoshimura , M. , Koshi , M. and Matsui , H. ( 1992 ). A Flash Photolysis Study of CH4-O2 Mixtures behind Shock Waves: Examination of Reactions of CH3 + O2 , Bull. Chem. Soc. Jpn. , 65 , 1317 .
   Web of Science ®Google Scholar
• Scholte , T. G. and Vaags , P. B. ( 1959 ). The Burning Velocity of Hydrogen-Air Mixtures and Mixtures of Some Hydrocarbons with Air , Combust. Flame , 3 , 495 .
   Web of Science ®Google Scholar
• Smith , F. A. ( 1937 ). Problems of Stationary Flames , Chem. Rev. , 21 , 389 .
   Google Scholar
• Stein , S. E. , Walker , J. A. , Suryan , M. M. and Fahr , A. ( 1990 ). A New Path to Benzene in Flames, 23rd Symposium (International) on Combustion , PThe Combustion Institute, 85 .
   Google Scholar
• Tan , Y. , Dagaut , P. , Cathonnet , Boettner , J. C. , ( 1994 ). Natural gas and blends oxidation and ignition: experiments and modeling, 25th Symposium (International) on Combustion , The Combustion Institute, accepted.
   Google Scholar
• Troe , J. ( 1992 ). Private Communication.
   Google Scholar
• Volponi , J. V. and Branch , M.C. ( 1992 ). Flame Structure of C2H2-O2-Argon and C2H2-NO2-Argon Laminar Premixed Flames, 24th Symposium (International) on Combustion , The Combustion Institute, 823 .
   Google Scholar
• Warnatz , J. ( 1984 ). Rate Coefficients in the C/H/O System. Gardiner Jr. , W. C , Ed., Combustion Chemistry , Springer-Verlag, New York , 197 .
   Google Scholar
• Westmoreland , P. R. ( 1986 ). Experimental and theoretical analysis of oxidation and growth chemistry in a fuel-rich acetylene flame, Ph.D. Thesis, Chemical Engineering Department , M.I.T.,
   Google Scholar
• Westmoreland , P. R. , Howard , J. B. and Longwell J. P. ( 1986 ). Tests of Published Mechanisms by Compari-son with Measured Laminar Flame Structure in Fuel-Rich Acetylene Combustion, 21st Symposium (International) on Combustion , The Combustion Institute, 773 .
   Google Scholar
• Westmoreland , P. R. , Dean , A. M. , Howard , J. B. and Longwell , J. P. ( 1989 ). Forming Benzene in Flames by Chemically Activated Isomerization , J. Phys. Chem. , 93 , 8171 .
   Web of Science ®Google Scholar
• Wu , C. H. , Lin , C. Y. , Wang , H. T. and Lin , M. C. ( 1989 ). A shock tube study of the oxidation of the methyl radical , Proc. 17th Symp. Shock Tubes and Shock Waves , 450 .
   Google Scholar
• Zellner , R. and Ewig , F. ( 1988 ). Computational Study of the CH3 + O2 Chain Branching Reaction , J. Phys. Chem. , 92 , 2971 .
   Web of Science ®Google Scholar