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Original Articles

Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Premixed Propane Flame

, , &
Pages 295-342 | Received 05 Mar 1997, Accepted 21 Jul 1997, Published online: 26 Apr 2007

References

  • Allara , D. L. and Shaw , R. A. ( 1980 ) “ Compilation of Kinetic Parameters for the Thermal Degradation of n-Alkane Molecules ”, J. Phys. Chem. Ref. Data , 9 , pp. 523 – 559 .
  • Azatyan , V. V. ( 1967 ) “ Combustion Limitation Method in the Heterogeneous Termination of Chains in the Diffusion Range ”, Arm. Khim. Z/i. , 20 , pp. 577 – 584 .
  • Baldwin , R. R. and Walker , R. W. ( 1964 ) “ Inhibition of the Hydrogen + Oxygen Reaction by island lso-Butane ”, Trans. Faraday Soc. , 60 , pp. 1236 – 1248 .
  • Baldwin , R. R. , Bennett , J. and Walker , R. W. (1980) “Addition of Pentenes of Slowly Reacting Mixtures of Hydrogen and Oxygen at 480°C”, J.C.S. Faraday I , 76, p. 2396.
  • Bastin , E. , Delfau , J. F. , Reuillon , M. , Volvelle , C. and Warnatz , J. “ Experimental and Computational Investigation of the Structure of a Sooting C2H2-O2-Ar Flame ”, Twenty-second Symposium (International) on Combustion , The Combustion Institute, p, 313.
  • 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 Modeling ”, J. Phys. Chem. Ref, Data , 21 , p. 411 .
  • Benner , C. L. , Bayona , J. M. , Tang , H. , Lewis , L. , Crawford , J. , Lamb , J. D. , Lee , M. L. , Lewis , E. A. , Hansen , L. D. and Eatough , D. J. ( 1989 ) “ Chemical Composition of Environmental Tobacco Smoke. 2. Particulate-Phase Compounds ”, Environ. Sci. Technol , 23 , pp. 688 – 699 .
  • Benner , B. A. Jr., Gordon , G. E. and Wise , S. A. ( 1989 ) “ Mobile Sources of Atmospheric Polycyc-lic Aromatic Polycyclic Aromatic Hydrocarbons: A Roadway Tunnel Study ”, Environ. Sci. Technol , 23 , pp. 1269 – 1278 .
  • Benson , S. W. ( 1976 ) Thermochemical Kinetics , Second Edition, John Wiley and Sons.
  • Bjorscth , A. , Bjorseth , O. { and Fjeldstad, P. ( 1978 ) “ Polycyclic Aromatic Hydrocarbons in the Work Atmosphere. II. Determination in a Coke Plant ”, Scan. J. Work Environ. Health , 44 , pp. 224 – 231 .
  • Bjorseth , A. and Ramdahl , T. ( 1985 ) In Handbook of Polycyclic Aromatic Hydrocarbons: Emission Sources and Recent Progress in Analytical Chemistry; , Bjorseth, A. and Ramdahl , T. (Eds.), Marcel Dekker, New York , pp. 1 – 20 .
  • Bockhorn , H. , Fetting , F. and Wenz , H. ( 1983 ) “ Investigation of the Formation of High Molecular Hydrocarbons and Soot in Premixed Hydrocarbon-Oxygen Flames ”, Ber. Bensenges. Phys. Chem. , 87 , pp. 1067 – 1073 .
  • Bordwell , F. G. , Cheng , J. ‐P. and Harrelson , J. A. (yl988) “ Homolytic Bond Dissociation Energies in Solution from Equilibrium Acidity and Electrochemical Data ”, J. Am. Chem. Soc , 110 , pp. 1229 – 1231 .
  • Bozzelli , J. W. and Dean , A. M. ( 1993 ) “ Hydrocarbon Radical Reactions with 02: Comparison of Allyl, Formyl, and Vinyl to Ethyl ”, J. Phys. Chem. , 97 , pp. 4427 – 4441 .
  • Burcal , A. and McBride , B. ( 1993 ) “ 1994 Ideal Gas Thermodynamic Data for Combustion and Air- Pollution Use ”, Technion Report TAE 697.
  • Castaldi , M. J. , Marinov , N. M. , Mdius , C. F. , Senkan , S. M. , Pitz , W. J. and Westbrook , C. K. ( 1996 ) “ Experimental and Modeling Investigation of Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Premixed Ethylene Flame ”, Twenty-Sixth Symposium (International) on Combustion. , The Combustion Institute, In press.
  • Cohen , N. and Benson , S. W. ( 1993 ) “ Estimation of Heats of Formation of Organic Compounds by Additivity Methods ”, Chem. Rev. , 93 , p. 2419 .
  • Colket , M. B. and Seery , D. J. ( 1994 ) “ Reaction Mechanisms for Toluene Pyrolysis ”, Twenty-Fifth Symposium (International) on Combustion. , The Combustion Institute, p. 883 .
  • Cypres , R. and Bettens . B. ( 1974 ) “ Mecanismes de Fragmentation Pyrolytique du Phenol et des Cresols ”, Tetrahedron , 30 , p. 1253 .
  • Cypres , R. and Bettens , B. ( 1975 ) “ La Formation de la Plupart des Composes Aromatiques Prodiuts lors de la Pyrolyse du Phenol, Ne Fail Pas Inlervenir le Carbone Porteur de la Fonction Hydroxyle ”, Tetrahedron , 31 , p. 359 .
  • Daisey , J. M. , Cheney , J. L. and Lioy , P. J. ( 1986 ) “ Profiles of Organic Particulate Emissions from Air Pollution Sources: Status and Needs for Receptor Source Apportionment Modeling ”, J. Air. Pollut. Control Assoc , 36 i:( 1 ), pp. 17 – 33 .
  • Daisey , J. M. , Spengler , J. D. and Kaarakka , P. ( 1989 ) “ A Comparison of the Organic Chemical Composition of Indoor Aerosols during Woodburning and Non-Woodburning Periods ”, Environ. Int. , 15 , pp. 435 – 442 .
  • Davico , G. E. , Bierbaum , V. M. , Depuy , C. H. , Ellison , G. B. and Squires , R. R. ( 1995 ) “ The C-H Bond Energy of Benzene ”, J. Am. Chem. Soc , 117 , pp. 2590 – 2599 .
  • DeAngelis , D. G. , Ruffin , D. S. , Peters , J. A. and Reznik , R. B. ( 1980 ) Source Assessment: Residential Combustion of Wood , EPA--600/--2--80--0426, U.S. EPA, Washington s DC.
  • Dean , A. M. ( 1985 ) “ Predictions of Pressure and Temperature Effects upon Radical Addition Reactions ”, J. Phys. Chem. , 89 , pp. 4600.
  • Doremire , M. E. , Harmon , G. E. and Pratt , D. E. (1979) “3,4-Benzopyrene in Charcoal Grilled Meats”, J. Food Sci. , 44, pp. 622–623.
  • Droege , A. T. and Tully , F. P. ( 1986 ) “ Hydrogen-Atom Abstraction from Alkanes by OH. 5. n-Butane ”, J. Phys. Chem. , 90 , p. 5937 .
  • Dyremark , A. , Westerholm , R. , Overvik , E. and Gustavsson , J. ( 1995 ) “ Polycyclic Aromatic Hydrocarbon (PAH) Emissions from Charcoal Grilling ”, Atmos. Environ. , 29 , pp. 1553 – 1558 .
  • Edelson , D. and Allara , D. L. ( 1980 ) “ A Computational Analysis or the Alkane Pyrolysis Mechanism: Sensitivity Analysis of Individual Reaction Steps ”. Int. J. Chem. Kinet. , 12 , pp. 605 – 621 .
  • Emdee , J. , Brezinsky , K. and Glassman , I. ( 1992 ) “ A Kinetic Model for the Oxidation of Toluene near 1200 K ”, J. Phys. Chem. , 96 , p. 2151 .
  • Fitch , W. L. and Sauter , A. D. ( 1983 ) “ Calculations of Relative Electron Impact Total Ionization Cross Sections for Organic Molecules ”, Anal. Chem. , 55 , p. 832 .
  • Frank , P. , Herzler , J. , Just , Th. and Wahl , C. ( 1994 ) “ High Temperature Reactions of Phenyl Oxidation ”, Twenty-Fifth Symposium (International) on Combustion , The Combustion Institute, p. 833 .
  • Freeman , D. J. and Cattell , F. C. R. ( 1990 ) “ Woodburningas a Source of Atmospheric Polycyclic Aromatic Hydrocarbons ”, Environ. Sci. Tech. , 24 , pp. 1581 – 1585 .
  • Frenklach , M. Y. ( 1996 ) Private communication.
  • Golden , D. M. , Gac , N. A. and Benson , S. W. ( 1969 ) “ Equilibrium Constant for Allyl Radical Recombination. Direct Measurement of Allyl Resonance Energy ”, J. Am. Chem. Soc , 90 , p. 2136 .
  • Gordon , S. and McBride , B. J. ( 1971 ) “ Computer Program for Calculation of Complex Chemical equilibrium Compositions Rocket Performance, Incident and Reflected Shocks and Chap-man-Jouget Detonations ”, NASA SP-273.
  • Greenberg , A. , Bozzelli , J. , Cannova , F. , Forster , E. , Giorgio , P. , Stout , D. and Yokoyama , R. ( 1981 ) “ Correlations Between Lead and Corone Concentrations at Urban, Surburan, and Industrial Sites in New Jersey ”, Environ. Sci. Tech. , 15 , pp. 566 – 570 .
  • Halberstadt , M. L. and Chesick , J. P. ( 1962 ) “ The Kinetics of the Thermal Isomerization of [2.1.0] Bicyclopentane ” J. Am. Chem. Soc , 84 , pp. 2688 – 2691 .
  • Harris , S. J. , Weiner , A. M. , Blint , R. J. and Goldsmith , J. E. M. ( 1986 ) “ Concentration Profiles in Rich and Sooting Ethylene Flames ”, Twenty-First Symposium [International) on Combustion , The Combustion Institute, pp. 1033 – 1045 .
  • Harris , S. J. , Weiner , A. M. and Blint , R. J. ( 1988 ) “ Formation of Aromatic Molecules in a Sooting Ethylene Flame ”, Comb. Flame , 72 , p. 91 .
  • Harkov , R. and Greenberg , A. ( 1985 ) “ Benzo(a)pyrene in New Jersey-Results from a Twenty-Seven-Site Study ”, J. Air Pollut. Control Assoc , 35 , pp. 238 – 243 .
  • Harrison , R. M. , Smith , D. J. T. and Luhana , L. ( 1996 ) “ Source Apportionment of Atmospheric Polycyclic Aromatic Hydrocarbons Collected from an Urban Location in Birmingham, U.K. ”, Environ. Sci. Tech. , 30 , pp. 825 – 832 .
  • Hidaka , Y. , Hattori , K. , Okuno , T. , Inami , K. , Abe , T. and Koike , T. ( 1996 ) “ Shock-Tube and Modeling Study of Acetylene Pyrolysis and Oxidation ”, Combust. Flame , 107 , pp. 401 – 417 .
  • Hildemann , L. M. , Markowski , G. R. and Cass , G. R. ( 1991 ) “ Chemical Composition of Emissions from Urban Sources of Fine Organic Aerosol ”, Environ. Sci. Tech. , 25 , pp. 744 – 759 .
  • Hildemann , L. M. , Markowski , G. R. and Cass , G. R. ( 1991 a) “ Quantitative Characetization of Urban Sources of Organic Aerosol by High-Resolution Gas Chromatography ”, Environ. Sci. Tech. , 25 , pp. 1311 – 1325 .
  • Hippler , H. , Reihs , C. and Troe , J. ( 1990 ) “ Shock Tube UV Absorption Study or the Oxidation of Benzyl Radicals ”, Twenty-Third Symposium (International) on Combustion , The Combustion Institute, p. 37 – 43 .
  • Howard , J. B. , Longwell , J. P. , Marr , J. A. , Pope , C. J. , Busby , W. F. , Lafleur , A. L. and Taghizadeh , K. ( 1995 ) “ Effects of PAH Isomerization on Mutagencity of Combustion Products ”, Combust. Flame , 101 , pp. 262 – 270 .
  • Huntsman , W. D. , DeBoer , J. A. and Woosley , M. H. ( 1966 ) “ The Thermal Rearrangement of 1-Alken-5-ynes and 1, 2, 5-Alkatrienes ”, J. Am. Chem. Soc , 88 , pp. 5846 – 5850 .
  • Jenkin , M. E. , Murrells , T. P. , Shalliker , S. J. and Hayman , G. D. ( 1993 ) “ Kinetics and Product Study of the Self-Reactions of Allyl and AllylPeroxy Radicals at 296K ”, J. Chem. Soc. Faraday Trans. , 89 , pp. 433 – 446 .
  • Kee , R. J. , Grcar , J. F. , Smooke , M. D. and Miller , J. A. ( 1985) “A Fortran Chemical Kinetics Package for the Analysis of Gas Phase Chemical Kinetics”. Sandia Report #SANDS85--8240, Sandia National Laboratories.
  • Kee , R. J. , Dixon-Lewis , G. , Warnatz , J. , Coltrin , M. E. and Miller , J. A. ( 1986 ) “ The Chemkin Transport Database ”, Sandia Report #SANDA86--8246, Sandia National Laboratories.
  • Kee , R. J. , Rupley , F. M. and Miller , J. A , ( 1987 ) “ The Chemkin Thermodynamic Database ”, Sandia Report #SAND87--8215 B, Sandia National Laboratories.
  • Kee , R. J. , Rupley , F. M. and Miller , J. A. ( 1989 ) “ CHEMK1N-II: A Fortran Chemical Kinetics Package for the Analysis of Gas Phase Chemical Kinetics ”. Sandia Report #SAND89--8009, Sandia National Laboratories.
  • Kiefer , J. H. , Kapsalis , S. A. , Al-Alami , M. Z. and Budach , K. A. ( 1983 ) “ The Very High Temperature Pyrolysis of Ethylene and The Subsequent Reactions of Product Acetylene ”, Combust. Flame , 51 , pp. 79.
  • Klinkenberg , W. and Louw , R. ( 1987 ) “ Thermal Hydrogenolysis of Cyclopentadiene ”, CCESRS 87--01, Leiden University: Leiden .
  • Knyazev , V. D. and Slagle , I. R. ( 1995 ) “ Kinetics of the Reaction of Vinyl Radical with Molecular Oxygen ”, J. Phys. Chem. , 99 , pp. 2247 – 2249 .
  • Knyazev , V. D. and Slagle , I. R. ( 1996 ) “ Unimolecular Decomposition of N-C4H9 and Iso-C4H9 Radicals ”, J. Phys. Chem. , 94 , pp. 2493 – 2504 .
  • Kopinke . F.‐D. , Ondruschka , B. and Zimmerman , G. ( 1988 ) “ Rearrangement Reactions in the Thermal Formation of Aromatics from Cycloolefins. 14C-Labelling Studies ”, J. Anal. Appl. Pyrolysis , 13 . pp. 259 – 275 .
  • Lifshitz , A. , Frenklach , M. and Burcat , A. ( 1975 ) “ The structural isomerization of CH2=C=CH2=CH2=C=CH Studies with a Single Pulse Shock Tube ” J. Phys. Chem. , 79 , pp. 1148 – 1154 .
  • Manion , J. A. and Louw , R. ( 1989 ) “ Rates, Products, and Mechanisms in the Gas-Phase Hydrogenolysis of Phenol Between 922 and 1175 K ”, J. Phys. Chem. , 93 , p. 3563 .
  • Marinov , N. M. and Malle , P. C. ( 1995 ) “ Ethylene Oxidation in a Well-Stirred Reactor ”, Int. J. Chem. Kinet. , 27 . pp. 957 – 986 .
  • Marinov , N. M. , Pitz , W. J. , Westbrook , C. K. , Castaldi , M. J. and Senkan , S. M. ( 1996 ) “ Modeling of Aromatic and Polycyclic Aromatic Hydrocarbon Formation in Premixed Methane and Ethane Flames ”, Combust. Sci. Tech. , 116 -117, pp. 211 – 287 .
  • Marinov , N. M. , Pitz , W. J. , Westbrook , C. K. , Vincitore , A. M. , Castaldi , M. J. , Senkan , S. M , and Melius , C. F. ( 1997 ) “ Aromatic and Polycyclic Hydrocarbon Formation in a Laminar Premixed n-Butane Flame ”, Combust. Flame , to appear.
  • Marinov , N. M. ( 1997 ) [email protected]
  • Masclet , P. , Mouvicr , G. and Nikolaou , K. ( 1986 ) “ Relative Decay Index and Sources of Polycyclic Aromatic Hydrocarbons ”, Atmos. Environ. , 20 , pp. 439 – 446 .
  • Melius , C. F. , Colvin , M, E. , Marinov , N. M. , Pitz , W. J. and Senkan , S. M. ( 1996 ) “ Reaction Mechanisms in Aromatic Hydrocarbon Formation Involving the C5H5 Cyclopentadienyl Moeity ”, Twenty-Sixth Symposium (International)on Combustion , Tht Combustion Institute, In press.
  • Menzie , C. A. , Potocki , B. B. and Santodonalo , J. ( 1992 ) “ Exposureto Carcinogenic PAHsin the Environment ”, Environ. Sci. Tech. , 26 i:( 7 ), pp. 1278 – 1284 .
  • Michael , J. V. , Keil , D. G. and Klemm , R. B. ( 1983 ) “ Theoretical Rate Constant Calculations for O(3P) with Saturated Hydrocarbons ”, Int. J. Chem. Kin. , 15 , pp. 705 – 719 .
  • Miller , J. A. and Melius , C. F. ( 1992 ) “ Kinetic and Thermodynamic Issues in the Formation of Aromatic Compounds in Flames of Aliphatic Fuels ”, Comb. Flame , 9 l, pp. 21 – 39 .
  • Miller , J. A. ( 1996 ) “ Theory and Modeling in Combustion Chemistry ” Twenty-Sixth Symposium (International) on Combustion , The Combustion Institute, In press.
  • Mitra , S. and Ray , B. ( 1995 ) “ Patterns and Sources of Polycyclic Aromatic Hydrocarbons and their Derivatives in Indoor Air ”, Atoms. Environ. , 29 , pp. 3345 – 3356 .
  • National Research Council ( 1986 ) Environmental Tobacco Smoke. Measuring Exposure and Assessing Health Effects; , National Academy Press: Washington s DC.
  • Nguyen , T. T. and King , K. D. ( 1981 ) “ Kinetics of Decomposition and Interconversion of 3-Methylbut-l-yne and 3-Methylbuta-l,2-diene. Resonance Stabilization Energies of Propargylic Radicals ”, J. Phys. Chem. , 85 , pp. 3130 – 3136 .
  • Nguyen , T. T. and King , K. D. (1982) “Very Low-Pressure Pyrolysis (VLLP) of Pentynes. III Pent-2-yne. Heat of Formation and Resonance Stabilization Energy of the 3-Methylpropar-gyl Radical”, Int. J. Chem. Kinet. , 14, pp. 613–621.
  • Perry , R. A. ( 1984 ) “ Absolute Rate Constants for the Reaction of 0(3P) Atoms with Ethene, Propene, Propene-d6, 1-Butene, cis-2-Butene, trans-2-Butene and Isobutene over the Temperature Range 260-860 K ”, Presented at the 8th International Symposium on Gas Kinetics.
  • Pitz , W. J. , Westbrook , C. K. and Leppard , W. K. ( 1991 ) “ Autoignition Chemistry of C4 Olefins Under Motored Engine Conditions: A Comparison of Experimental and Modeling Results ”, SAE Transactions , SAE Paper No. 912315.
  • Ramdahl , T. , Alfheim , I. and Bjorseth , A. ( 1983 ) In Mobile Source Emissions Including Polycyclic Organic Species. , Rondia , D. , Cooke , M. and Haroz , R. K. (Eds), D. Reidel Publishing Co., Dordrecht , Netherlands , pp. 277 – 298 .
  • Ritter , E. R. , Bozzelli , J. W. and Dean , A. M. ( 1990 ) “ Kinetic Study on Thermal Decomposition of Chlorobenzene Diluted in H ”, J. Phys. Chem. , 94 , pp. 2493 – 2504 .
  • Rilter , E. R , and Bozzelli , J. W. ( 1991 ) “ THERM: Thermodynamic Property Estimation for Gas hase Radicals and Molecules ” Int. J. Chem. Kinet. , 23 , pp. 767 – 778 .
  • Rogge , W. F. , Hildemann , L. M. , Mazurek . M. A. , Cass , G. R. and Simoneit , B. R. T. ( 1991 ) “ Sources of Fine Organic Aerosol. 1. Charbroilersand Meat Cooking Operations ”, Environ. Sci. Tech. , 25 , pp. 1112 – 1125 .
  • Rogge , W. F. , Hildemann , L. M. , Mazurek , M. A. , Cass , G, R. and Simoneit , B. R.T. ( 1993 ) “ Sources of Fine Organic Aerosol. 2. Noncatalyst and Catalyst-Equipped Automobiles and Heavy-Duty Diesel Trucks ”, Environ. Sci. Tech. , 27 . pp. 636 – 651 .
  • Shandross , R. A. , Longwell , J. P , and Howard , J. B. ( 1996 ) “ Destruction of Benzene in High Temperature Flames: Chemistry of Benzene and Phenol ”, Twenty-Sixth Symposium (International) on Combustion , The Combustion Institute, In press.
  • Slagle , I. R. and Gutman , D. ( 1988 ) “ Kinetics of the Reaction of C3H3 with Molecular Oxygen from 293-900 K ”, Twenty-First Symposium, (International) on Combustion. The Combustion Institute, p. 875 .
  • Slagle , I. R. , Bencsura , A. , Xing , S.‐B. and Gutman , D. ( 1992 ) “ Kinetics and Thermochemistry of the Oxidation of Unsaturated Radicals: C4H5 + O2 ”, Twenty-Fourth Symposium, (International) on Combustion. The Combustion Institute, pp. 653 – 660 .
  • Smith , G. P. ( 1987 ) “ Laser Pyrolysis Studies of OH Reaction Rales with Several Butenes at 1200K ”, Int. J. Chem. Kin. , 19 , p. 269 .
  • Stein , S. E. and Barton , B. E. ( 1981 ) “ Chemical Thermodynamics of Polyaromatic Compounds Containing Heteroatoms and Five-Mcmbered Rings ”, Thermochimica Acta , 44 , p. 265 .
  • Stein . S. E. and Fahr , A. ( 1985 ) “ High-Temperature Stabilities of Hydrocarbons ”. J. Phys. Chem. , 89 , p. 3714 .
  • Stein , S. E. and Brown , R. L. ( 1991 ) “ Prediction of Carbon-Hydrogen Bond Dissociation Energies for Polycyclic Aromatic Hydrocarbons of Arbitrary Size ”, J. Am. Chem. Soc , 113 , pp. 787 – 793 .
  • Stothard , N. D. and Walker , R. W. ( 1992 ) “ Oxidation Chemistry of Propene in the Autoignition Region. Arrhenius Parameters for the Allyl + O, Reaction Pathways and Kinetics Data for Initiation Reactions ”; J. Chem. Soc. Faraday Trans. , 88 , pp. 2621 – 2629 .
  • Stull , D. E. , Westrum Jr. , E. F. and Sinke , G. C. ( 1969 ) The Chemical Thermodynamics of Organic Compounds , p. 401 . John Wiley and Sons.
  • Sundaram , K. and Froment , G. F. ( 1978 ) “ Modeling of Thermal Cracking Kinetics. 3. Radical Mechanisms for the Pyrolysis of Simple Paraffins, Olefins, and their Mixtures ”, Ind. Eng. Chem. Fundam. , 17 , pp. 174 – 182 .
  • Towell , G. D. and Martin , J. J. ( 1961 ) “ Kinetic Data from Nonisothermal Experiments: Thermal Decomposition of Ethane, Ethylene, and Acetylene ”, AICHE J. , 7 , pp. 693 – 698 .
  • Tsang , W. ( 1969 ) “ Thermal Decomposition of 3,4-Dimethy!pentene-l, 2, 3, 3,- Trimethylpentane, 3, 3-Dimethylpentane, and isobutylbenzene in a Single Pulse Shock Tube ”, Int. J. Chem. Kin. , 1 , pp. 245 – 278 .
  • Tsang , W. (1986) “Thermodynamic and Kinetic Properties of the Cyclohexadienyl Radical”. J. Phys. Chem. , 90, pp. 1152–1155.
  • Tsang , W. ( 1988 ) “ Chemical Kinetic Data Base for Combustion Chemistry. Part 3. Propane ”, J. Phys. Chan. Ref. Data , 17 i:( 2 ), p. 887 .
  • Tsang , W. ( 1991 ) “ Chemical Kinetic Data Base for Combustion Chemistry. Part 5. Propene ”, J. Phys. Chem. Ref. Data , 20 i:( 2 ), p. 221 .
  • Tulloch , J. M. , MacPherson , M. T. , Morgan , C. A. and Pilling , M. J. ( 1982 ) “ Flash Photolysis Studies of Free-Radical Reactions: C3H5 + C3H5 (293-691 K) and C3H3 + NO (295-400 K) ”, J. Phys. Chem. , 86 , p. 3812 .
  • Tully , F. P. ( 1988 ) Hydrogen-Atom Abstraction from Alkenes by OH. Ethene and 1-Butene , Chem. Phys. Letters , 143 , p. 510 .
  • Walker , R. W. ( 1975 ) A Critical Survey of Rate Constants for Reactions in Gas-Phase Hydrocarbon Oxidation, in Reaction Kinetics , (P. G. Ashmore, Ed.), The Chemical Society, Burlington House , London , p. 161 .
  • Walker , R. W , ( 1988 ) Reactions of HO2 Radicals in Combustion Chemistry, Twenty-Second Symposium (International) on Combustion , The Combustion Institute, Pittsburgh , PA , pp. 883 – 892 .
  • Wang , H. and Frenklach , M. ( 1994 ) “ Transport Properties of Polycyclic Hydrocarbons for Flame Modeling ”, Comb. Flame , 96 , p. 163 .
  • Wang , H. and Frenklach , M. ( 1994 a) “ Calculations of Rate Coefficients for the Chemically Activated Reactions of Acetylene with Vinylic and Aromatic Radicals ”, J. Phys. Chem. , 98 , p. 11465 .
  • Westbrook , C. K. and Pitz , W. J. ( 1984 ) “ A Comprehensive Chemical Kinetic Reaction Mechanism for the Oxidation and Pyrolysis of Propane and Propene ”, Combust. Set. Tech. , 37 , p. 117 .
  • Westmoreland , P. R. , Dean , A. M. , Howard , J. B. and Longwell , J. P. ( 1989 ) “ Forming Benzene in Flames by Chemically Activated Isomerizations ”, J. Phys. Chem. , 93 , p. 8171 .
  • Whytock , D. A. , Payne , W. A. and Stief , L. J. ( 1976 ) “ Rate of the Reaction of Atomic Hydrogen with Propyne over an Extended Pressure and Temperature Range ”, J. Chem. Phys. , 65 , p. 191 .
  • Yampol'skii , Yu. P. and Namctkin , N. S. ( 1975 ) “ Rate Constants of Reactions of CH3, C2H5, and Atomic Hydrogen with Butane at High Temperatures ”, Kinet. Catal. , 17 , p. 57 .
  • Yamporslcii , Yu. P. ( 1976 ) “ Reactivity of Primary and Secondary-Hydrogen Bonds in Radical Processes ”, Read. Kinet. Catal. Leu. , 2 , pp. 449 – 452 .

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