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Original Articles

To Better Understand the Formation of Short-Chain Acids in Combustion Systems

, , &
Pages 343-370 | Published online: 11 Jan 2008

REFERENCES

  • Aceves , S.M. , Flowers , D.L. , Espinosa-Loza , F. , Martinez-Frias , J. , Dec , J.E. , Sjöberg , M. , Dibble , R.W. , and Hessel , R.P. ( 2004 ) Spatial analysis of emissions sources for HCCI combustion at low loads using a multi-zone model . SAE Paper 2004-01-1910 .
  • Allara , D.L. and Shaw , R.J. ( 1980 ) A compilation of kinetic parameters for the thermal degradation of n-alkanes molecules . J. Phys. Chem. Ref. Data , 9 , 523 – 559 .
  • Allendorf , M.D. ( 2006 ) HiTempThermo database . http://www.ca.sandia.gov/HiTempThermo/index.html .
  • Alzueta , M.U. , Glarborg , P. , and Dam-Johansen , K. ( 2000 ) Experimental and kinetic modeling study of the oxidation of benzene . Int. J. Chem. Kin. , 32 , 498 – 522 .
  • Atkinson , R. , Baulch , D.L. , Cox , R.A. , Hampson , R.F. , Kerr , J.A. , Rossi , M.J. , and Troe , J. ( 1997 ) Evaluated kinetic, photochemical and heterogeneous data for atmospheric chemistry: Supplement V – IUPAC subcommittee on gas kinetic data evaluation for atmospheric chemistry . J. Phys. Chem. Ref. Data , 26 , 521 – 1011 .
  • Atkinson , R. , Baulch , D.L. , Cox , R.A. , Crowley , J.N. , Hampson , R.F. , Kerr , J.A. , Hynes , R.G. , Jenkin M.E. , Rossi , M.J. , and Troe , J. ( 2005 ) Evaluated kinetic and photochemical data for atmospheric chemistry: volume II–reactions of organic species . Atmos. Chem. Phys. Discuss. , 5 , 6295 – 7168 .
  • Barbé , P. , Battin-Leclerc , F. , and Côme , G.M. ( 1995 ) Experimental and modelling study of methane and ethane oxidation between 773 and 1573K . J. Chim. Phys. , 92 , 1666 – 1692 .
  • Baulch , D.L. , Bowman , C.T. , Cobos , C.J. , Cox , R.A. , Just , Th. , Kerr , J.A. , Pilling , M.J. , Stocker , D. , Troe , J. , Tsang , W. , Walker , R.W. , and Warnatz , J. ( 2005 ) Evaluated kinetic data for combustion modeling: supplement II . J. Phys. Chem. Ref. Data , 34 , 757 – 1397 .
  • Benson , S.W. ( 1976 ) Thermochemical Knetics, 2nd ed. , John Wiley , New York .
  • Biet , J. , Delfau , J.L. , Seydi , A. , and Vovelle , C. ( 2005 ) Experimental and modeling study of lean premixed atmospheric-pressure propane/O2/N2 flames . Combust. Flame , 142 , 197 – 209 .
  • Borisov , A.A. , Zamanskii , V.M. , Konnov , A.A. , and Skachkov , G.I. ( 1990 ) Mechanism of high-temperature acetaldehyde oxidation . Sov. J. Chem. Phys. , 6 , 748 – 755 .
  • Bounaceur , R. , Da Costa , I. , Fournet , R. , Billaud , F. , and Battin-Leclerc , F. ( 2005 ) Experimental and modeling study of the oxidation of toluene . Int. J. Chem. Kin. , 37 , 25 – 49 .
  • Buda , F. , Bounaceur , R. , Warth , V. , Glaude , P.A. , Fournet , R. , and Battin-Leclerc , F. ( 2005 ) Progress towards an unified detailed kinetic model for the autoignition of alkanes from C4 to C10 between 600 and 1200K . Combust. Flame , 142 , 170 – 186 .
  • http://www.ensic.inpl-nancy.fr/DCPR/Anglais/GCR/exgas_distribution.htm
  • Burcat , A. and Ruscic , B. ( 2006 ) Ideal Gas Thermochemical Database with updates from Active Thermochemical Tables http://ftp.technion.ac.il/pub/supported/aetdd/thermodynamics .
  • Burrows , J.P. , Moortgat , G.K. , Tyndall , G.S. , Cox , R.A. , Jenkin , M.E. , Hayman , G.D. , and Veyret , B. ( 1989 ) Kinetics and mechanism of the photooxidation of formaldehyde. 2. Molecular modulation studies . J. Phys. Chem. , 93 , 2375 – 2382 .
  • Calvert , G. and Stockwell , W.R. ( 1983 ) Acid generation in the troposphere by gas-phase chemistry . Environ. Sci. Technol. , 17 , 429A – 449A .
  • Chebbi , A. and Carlier , P. (1996) Carboxylic acids in the troposphere, occurrence, sources and sinks: a review. Atmos. Environ. , 30, 4233–4249.
  • Curran , H.J. , Fisher , S.L. , and Dryer , F.L. ( 2000 ) The reaction kinetics of dimethyl ether. II: low-temperature oxidation in flow reactors . Int. J. Chem. Kin. , 32 , 741 – 749 .
  • Da Costa , I. , Fournet , R. , Billaud , F. , and Battin-Leclerc , F. ( 2003 ) Experimental and modeling study of the oxidation of benzene . Int. J. Chem. Kin. , 35 , 503 – 524 .
  • Dagaut , P. , Luche , J. , and Cathonnet , M. ( 2000 ) Experimental and kinetic modeling of the reduction of NO by propene at 1 atm . Combust. Flame , 121 , 651 – 661 .
  • DeMore , W.B. , Sander , S.P. , Golden , D.M. , Hampson , R.F. , Kurylo , M.J. , Howard , C.J. , Ravishankara , A.R. , Kolb , C.E. , and Molina , M.J. ( 1997 ) Chemical kinetics and photochemical data for use in stratospheric modeling . Evaluation number 12 JPL Publication , NASA , 97 – 4 .
  • Duan , X. and Page , M. ( 1995 ) Theoretical investigation of competing mechanisms in the thermal unimolecular decomposition of acetic acid and the hydration reaction of ketene . J. Am. Chem. Soc. , 117 , 5114 – 5119 .
  • Dubreuil , A. , Foucher , F. , Mounaïm-Rousselle , C. , Dayma , G. , and Dagaut , P. ( 2007 ) HCCI combustion: effect of NO in EGR . Proc Combust. Instit. , 31 , 2879 – 2886 .
  • Fournet , R. , Baugé , J.C. , and Battin-Leclerc , F. ( 1999 ) Experimental and modelling of oxidation of acetylene, propyne, allene and 1,3-butadiene . Int. J. Chem. Kin. , 31 , 361 – 379 .
  • Glaude , P.A. , Battin-Leclerc , F. , Fournet , R. , Warth , V. , Côme , G.M. , and Scacchi , G. ( 2000 ) Construction and simplification of a model of the oxidation of alkanes . Combust. Flame , 122 , 451 – 462 .
  • Gueniche , H.A. , Glaude , P.A. , Dayma , G. , Fournet , R. and Battin-Leclerc , F. ( 2006 ) Rich methane premixed laminar flames doped by light unsaturated hydrocarbons-part 1: allene and propyne . Combust. Flame , 146 , 620 – 634 .
  • Humpfer , R. , Oser , H. and Grotheer , H.-H. ( 1995 ) Formation of HCOH + H2 through the reaction CH3 + OH. Experimental evidence for a hitherto undetected product channel . Int. J. Chem. Kinet. , 27 , 577 – 595 .
  • Hsu , D.S.Y. , Shaub , W.M. , Blackburn , M. , and Lin , M.C. ( 1982 ) Thermal decomposition of formic acid at high temperatures in shock waves . Proc. Combust. Instit. , 19 , 89 – 96 .
  • Kee , R.J. , Rupley , F.M. , and Miller , J.A. ( 1993 ) Chemkin II. A fortran chemical kinetics package for the analysis of a gas-phase chemical kinetics . Sandia Laboratories Report, S 89-8009B .
  • Konnov , A.A. ( 2000 ) Detailed reaction mechanism for small hydrocarbons combustion . Release 0.5. 2000 http://homepages.vub.ac.be/~akonnov .
  • Konnov , A.A. ( 2006 ) Towards a unified C1–C3 kinetic mechanism for combustion modelling over extended temperature and pressure range . Proceed. of the 19th International Symposium on Gas Kinetics (GK 2006) Orléans , France July 22–27 , pp. 259 – 260 .
  • Larson , C.W. , Stewart , P.H. , and Golden , D.M. ( 1988 ) Pressure and temperature dependence of reactions proceeding via a bound complex. An approach for combustion and atmospheric chemistry modelers. Application to HO + CO=[HOCO]=H + CO2 . Int. J. Chem. Kinet. , 20 , 27 – 40 .
  • Legrand , M. , Preunkert , S. , Wagenbach , D. , Cachier , H. , and Puxbaum , H.J. ( 2003 ) A historical record of formate and acetate from a high-elevation Alpine glacier: Implication for their natural versus anthropogenic budgets at the european Scale . J. Geophys. Res. , 108 , 4788 .
  • Marinov , N.M. , Pitz , W.J. , Westbrook , C.K. , Castaldi , M.J. , and Senkan , S.M. ( 1996 ) Modeling aromatic and polycyclic aromatic hydrocarbon formation in premixed methane and ethane flames . Combust. Sci. Technol. , 116–117 , 211 – 287 .
  • Miller , J.A. and Melius , C.F. ( 1989 ) A theoretical analysis of the reaction between hydroxyl and acetylene . Proc. Combust. Instit. , 22 , 1031 – 1039 .
  • Moortgat , G. , Veyret , B. , and Lesclaux , R. (1989) Absorption spectrum and kinetics of reactions of the acetylperoxy radical. J. Phys. Chem. , 93, 2362–2368.
  • Muller , C. , Michel , V. , Scacchi , G. , and Côme , G.M. ( 1995 ) A computer program for the evaluation of thermochemical data of molecules and free radicals in the gas phase . J. Chim. Phys. , 92 , 1154 – 1177 .
  • Orlando , J.J. and Tyndall , G.S. ( 2001 ) The atmospheric chemistry of the HC(O)CO radical . Int. J. Chem. Kin. , 33 , 149 – 156 .
  • Petty , J.T. , Harrison , J.A. , and Moore , C.B. ( 1993 ) Reactions of trans-HOCO studied by infrared spectroscopy . J. Phys. Chem. , 97 , 11194 – 11198 .
  • Saito , K. , Kakumoto , T. , Kuroda , H. , Torii , S. , and Imamura , A. ( 1984 ) Thermal unimolecular decomposition of formic acid . J. Chem. Phys. , 80 , 4989 – 4996 .
  • Senosiain , J.P. , Musgrave , C.B. , and Golden , D.M. ( 2003 ) Temperature and pressure dependence of the reaction of OH and CO: Master equation modeling on a high-level potential energy surface . Int. J. Chem. Kin. , 35 , 464 – 474 .
  • Sivakumaran , V. , Hölscher , D. , Dillon , T.J. , and Crowley , J.N. ( 2003 ) Reaction between OH and HCHO: temperature dependent rate coefficients (202–399 K) and product pathways (298 K) . Phys. Chem. Chem. Phys. , 5 , 4821 – 4827 .
  • Stoeckel , F. , Schuh , M.D. , Goldstein , N. , and Atkinson , G.H. ( 1985 ) Time-resolved intracavity laser spectroscopy: 266 nm photodissociation of acetaldehyde vapor to form HCO . Chem. Phys. , 95 , 135 – 141 .
  • Talukdar R.J. , Gierczak , T. , McCabe , D.C. , and Ravishankara , A.R. ( 2003 ) Reaction of hydroxyl radical with acetone. 2. Products and reaction mechanism . J. Phys. Chem. A , 107 , 5021 – 5032 .
  • Taylor , P.H. , Yamada , T. , and Marshall , P. ( 2006 ) The reaction of OH with acetaldehyde and deuterated acetaldehyde: further insight into the reaction mechanism at both low and elevated temperatures . Int. J. Chem. Kin. , 38 , 489 – 495 .
  • Thomson , M.J. , Lucas , D. , Koshland , C.P. , Sawyer , R.F. , Wu , Y.P. , and Bozzelli , J.W. ( 1994 ) An experimental and numerical study of the high-temperature oxidation of 1,1,1-C2H3Cl3 . Combust. Flame , 98 , 155 – 169 .
  • Tomas , A. , Villenave , E. , and Lesclaux , R. ( 2001 ) Reactions of the HO2 radicals with CH3CHO and CH3C(O)O2 in the gas phase . J. Phys. Chem. A , 105 , 3505 – 3514 .
  • Touchard , S. , Fournet , R. , Glaude , P.A. , Warth , V. , Battin-Leclerc , F. , Vanhove , G. , Ribaucour , M. , and Minetti , R. ( 2005 ) Modeling of the oxidation of large alkenes at low temperature . Proc. Combust. Instit. , 30 , 1073 – 1081 .
  • Tranter , R.S. and Walker , R.W. ( 2001 ) Rate constant for H and OH attack on propanone, butanone and petan-3-one at 753 K, and the oxidation chemistry of the radicals formed . Phys. Chem. Chem. Phys. , 3 , 1262 – 1270 .
  • Troe , J. ( 1974 ) Fall-off curves of unimolecular reaction . Ber. Buns. Phys. Chem. , 78 , 478 – 488 .
  • Tsang , W. and Hampson , R.F. ( 1986 ) Chemical kinetic data base for combustion chemistry. Part I. Methane and related compounds . J. Phys. Chem. Ref. Data , 15 , 1087 – 1279 .
  • Tyndall , G.S. , Orlando , J.J. , Wallington , T.J. , Hurley , M.D. , Goto , M. , and Kawasaki , M. ( 2002 ) Mechanism of the reaction of OH radicals with acetone and acetaldehyde at 251 and 296 K . Phys. Chem. Chem. Phys. , 4 , 2189 – 2193 .
  • Vandenberk , S. , Vereecken , L. , and Peeters , J. ( 2002 ) The acetic acid forming channel in the acetone + OH reaction: A combined experimental and theoretical investigation . Phys. Chem. Chem. Phys. , 4 , 461 – 466 .
  • Warth , V. , Stef , N. , Glaude , P.A. , Battin-Leclerc , F. , Scacchi , G. , and Côme , G.M. ( 1998 ) Computed aided design of gas-phase oxidation mechanisms: Application to the modelling of normal-butane oxidation . Combust. Flame , 114 , 81 – 102 .
  • Wallington , T.J. , Dagaut , P. , and Kurylo , M.J. (1992) Ultraviolet absorption cross sections and reaction kinetics and mechanisms for peroxy radicals in the gas phase. Chem. Rev. , 92, 667–710.
  • Watkins , K.W. and Thompson , W.W. ( 1973 ) Addition of ethyl radicals to carbon monoxide. Kinetic and thermochemical properties of the propionyl radical . Int. J. Chem. Kin. , 5 , 791 – 803 .
  • Wilk , R.D. , Cernansky , N.P. , Pitz , W.J. , and Westbrook , C.K. ( 1989 ) Propene oxidation at low and intermediate temperatures: A detailed chemical kinetic study . Combust. Flame , 77 , 145 – 170 .
  • Zervas , E. , Montagne , X. , and Lahaye , J. ( 1999 ) Collection and analysis of organic acids in exhaust gas. Comparison of different methods . Atmos. Environ. , 33 , 4953 – 4962 .
  • Zervas , E. , Montagne , X. , and Lahaye , J. ( 2001a ) Emission of specific pollutants from a compression ignition engine. Influence of fuel hydrotreatment and fuel/air equivalence ratio . Atmos. Environ. , 35 , 1301 – 1306 .
  • Zervas , E. , Montagne , X. , and Lahaye , J. ( 2001b ) C1–C5 Organic acid emissions from an SI engine: Influence of fuel and air/fuel equivalence ratio . Environ. Sci. Technol. , 35 , 2746 – 2751 .
  • Zervas , E. , Montagne , X. , and Lahaye , J. ( 2002 ) Emission of alcohols and carbonyl compounds from a spark ignition engine. Influence of fuel and air/fuel equivalence ratio . Environ. Sci. Technol. , 36 , 2414 – 2421 .
  • Zervas , E. , Montagne , X. , and Lahaye , J. ( 2003 ) Emissions of regulated pollutants from a spark ignition engine. Influence of fuel and air/fuel equivalence ratio . Environ. Sci. Technol. , 37 , 3232 – 3238 .
  • Zervas , E. ( 2005 ) Formation of organic acids from propane, isooctane and toluene/isooctane flames . Fuel , 84 , 691 – 700 .

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