User menu

Molecular Beam Mass Spectrometry analysis of PAH production pathways in C6H6/O-2/Ar and C6H6/C2H2/O-2/Ar flames

Bibliographic reference Detilleux, Valéry ; Vandooren, Jacques. Molecular Beam Mass Spectrometry analysis of PAH production pathways in C6H6/O-2/Ar and C6H6/C2H2/O-2/Ar flames. In: Combustion Science and Technology, Vol. 180, no. 7, p. 1347-1369 (2008)
Permanent URL
  1. Bittner J.D., Proc. Combust. Instit., 18, 1105 (1981)
  2. Castaldi M.J., Proc. Combust. Instit., 26, 693 (1996)
  3. Colket M.B., Proc. Combust. Instit., 25, 883 (1994)
  4. The Combustion Simulation Laboratory (2007)
  5. Defoeux F., Dias V., Renard C., Van Tiggelen P.J., Vandooren J., Experimental investigation of the structure of a sooting premixed benzene/oxygen/argon flame burning at low pressure, 10.1016/j.proci.2004.08.014
  6. Dias V., Etude de la formation des précurseurs des suies dans les flammes riches prémélangées d'éthylène. PhD Thesis Université catholique de Louvain (2003)
  7. Dias , V. , Renard , C. , Van Tiggelen , P.J. , and Vandooren , J. ( 2003 )Modeling of soot precursors in rich premixed ethylene/oxygen/argon flames.Proc. European Combustion Meeting, Orléans , France , p. 221 .
  9. Dockery Douglas W., Pope C. Arden, Xu Xiping, Spengler John D., Ware James H., Fay Martha E., Ferris Benjamin G., Speizer Frank E., An Association between Air Pollution and Mortality in Six U.S. Cities, 10.1056/nejm199312093292401
  10. Fascella S., Cavallotti C., Rota R., Carrà S., Quantum Chemistry Investigation of Key Reactions Involved in the Formation of Naphthalene and Indene, 10.1021/jp037518k
  11. Frank P., Proc. Combust. Instit., 25, 833 (1994)
  12. Frenklach M., Proc. Combust. Instit., 20, 887 (1984)
  13. Frenklach M., Proc. Combust. Instit., 21, 1067 (1986)
  14. Frenklach Michael, Reaction mechanism of soot formation in flames, 10.1039/b110045a
  15. Kennedy Ian M., The health effects of combustion-generated aerosols, 10.1016/j.proci.2006.08.116
  16. Kint J.H., A noncatalytic coating for platinum-rhodium thermocouples, 10.1016/s0010-2180(70)80040-2
  17. Kunioshi Nı́lson, Touda Minoru, Fukutani Seishiro, Computational study on the formation of five-membered rings in pah through reaction with O2, 10.1016/s0010-2180(01)00353-4
  18. KUNIOSHI N, KOMORI S, FUKUTANI S, Numerical analysis of the effect of acetylene and benzene addition to low-pressure benzene-rich flat flames on polycyclic aromatic hydrocarbon formation, 10.1016/j.combustflame.2006.07.014
  19. Lindstedt Peter, Maurice Lourdes, Meyer Michael, Thermodynamic and kinetic issues in the formation and oxidation of aromatic species, 10.1039/b104056c
  20. Liu Ruifeng, Morokuma Keiji, Mebel Alexander M., Lin M. C., Ab InitioStudy of the Mechanism for the Thermal Decomposition of the Phenoxy Radical, 10.1021/jp953566w
  21. Marinov N. M., Pitz W. J., Westbrook C. K., Castaldi M. J., Senkan S. M., Modeling of Aromatic and Polycyclic Aromatic Hydrocarbon Formation in Premixed Methane and Ethane Flames, 10.1080/00102209608935550
  22. Marinov N.M., Pitz W.J., Westbrook C.K., Lutz A.E., Vincitore A.M., Senkan S.M., Chemical kinetic modeling of a methane opposed-flow diffusion flame and comparison to experiments, 10.1016/s0082-0784(98)80452-9
  23. Marinov Nick M, Pitz William J, Westbrook Charles K, Vincitore Antonio M, Castaldi Marco J, Senkan Selim M, Melius Carl F, Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Laminar Premixed n-Butane Flame, 10.1016/s0010-2180(97)00275-7
  24. McEnally Charles S., Pfefferle Lisa D., Atakan Burak, Kohse-Höinghaus Katharina, Studies of aromatic hydrocarbon formation mechanisms in flames: Progress towards closing the fuel gap, 10.1016/j.pecs.2005.11.003
  25. Melius C.F., Proc. Combust. Instit., 26, 685 (1996)
  26. Olivella Santiago, Sole Albert, Garcia-Raso Angel, Ab Initio Calculations of the Potential Surface for the Thermal Decomposition of the Phenoxyl Radical, 10.1021/j100026a018
  27. Rasmussen Christian L., Skjøth-Rasmussen Martin S., Jensen Anker D., Glarborg Peter, Propargyl recombination: estimation of the high temperature, low pressure rate constant from flame measurements, 10.1016/j.proci.2004.08.056
  28. Richter Henning, Grieco William J., Howard Jack B., Formation mechanism of polycyclic aromatic hydrocarbons and fullerenes in premixed benzene flames, 10.1016/s0010-2180(99)00032-2
  29. Richter Henning, Howard Jack B., Formation and consumption of single-ring aromatic hydrocarbons and their precursors in premixed acetylene, ethylene and benzene flamesElectronic supplementary information (ESI) available: Thermodynamic and kinetic property data. See, 10.1039/b110089k
  30. Skjøth-Rasmussen M.S, Glarborg P, Østberg M, Johannessen J.T, Livbjerg H, Jensen A.D, Christensen T.S, Formation of polycyclic aromatic hydrocarbons and soot in fuel-rich oxidation of methane in a laminar flow reactor, 10.1016/j.combustflame.2003.09.011
  31. Siegmann , K. and Siegmann , H.C. ( 1998 )Current Problems in Condensed Matter. Plenum Press , New York , pp. 143 – 160 .
  32. Szeliga Jan, Dipple Anthony, DNA Adduct Formation by Polycyclic Aromatic Hydrocarbon Dihydrodiol Epoxides, 10.1021/tx970142f
  33. VANDOOREN J, BRANCH M, VANTIGGELEN P, Comparisons of the structure of stoichiometric CH4N2OAr and CH4O2Ar flames by molecular beam sampling and mass spectrometric analysis☆, 10.1016/0010-2180(92)90086-5
  34. Vereecken Luc, Peeters Jozef, Reactions of chemically activated C9H9 species II: The reaction of phenyl radicals with allene and cyclopropene, and of benzyl radicals with acetyleneElectronic supplementary information (ESI) available: Full [C9H9] reaction scheme. Additional quantum chemical calculations not reported yet in earlier publications. Full product distribution and over-all rate coefficient listings, both uncorrected and effective data, for all reaction conditions examined. For the most important products, tables are included listing the yield as function of temperature and pressure. Modified Arrhenius fits for the over-all TST rate coefficient and the TST rate coefficient of the different entrance channels are listed for different temperature intervals. See or contact the authors directly, or download from the website, 10.1039/b303908k
  35. Wang Hai, Frenklach Michael, A detailed kinetic modeling study of aromatics formation in laminar premixed acetylene and ethylene flames, 10.1016/s0010-2180(97)00068-0
  36. Warnatz Jürgen, Chemistry of high temperature combustion of alkanes up to octane, 10.1016/s0082-0784(85)80574-9
  37. Yang B., Combust. Flame, 31, 555 (2007)