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7th INTERNATIONAL SEMINAR ON FLAME STRUCTURE and FIRST YOUNG RESEARCHERS’ SCHOOL ON FLAME STUDY

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7th INTERNATIONAL SEMINAR ON FLAME STRUCTURE and FIRST YOUNG RESEARCHERS’ SCHOOL ON FLAME STUDY

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  1. Structure of premixed flat burner-stabilized H2/O2/Ar flame doped with Ti(OC3H7)4 at 1 atm.A. G. Shmakov1, O. P. Korobeinichev1, D. A. Knyazkov1, A. A. Paletsky1, R. A. Maksutov2, I. E. Gerasimov2, S. A. Yakimov1, T. A. Bolshova11Institute of chemical kinetics and combustion, Novosibirsk, Russia2Novosibirsk state university, Novosibirsk, Russia 7th INTERNATIONAL SEMINAR ON FLAME STRUCTURE and FIRST YOUNG RESEARCHERS’ SCHOOL ON FLAME STUDY Novosibirsk, Russia, July 11-19, 2011

  2. Introduction Application of nanocrystaline mesoporous TiO2 films: Dye sensitized solar cells, DSSC Sensors for gas analyzers

  3. Traditional approaches for TiO2 films fabrication: sol-gel method screenprinting spray deposition doctor blading ! • New approach for TiO2 films fabrication by one step in premixed lean flameC2H4/O2/Ar + 0.030.10%Ti(OC3H7)4 • E.D. Tolmachoff, A.D. Abid, D.J. Phares, C.S. Campbell, H. Wang, Proceedings of the Combustion Institute 32 (2009) 1839–1845 • S. Memarzadeh, E.D. Tolmachoff, D.J. Phares and H. Wang, Proc. Combust. Inst. 33 (2011) 1917-1924

  4. Chemistry and kinetics of reactions of Ti-containing compoundsin flames: • TiCl4 – Pratsinis S.E. et al, Aerosol Sci. 2002, 33, 17. –Kraft M. et al, Combust. Flame 2009,156, 1764. • Ti(OC3H7)4 – Okuyama K. et al, A.I.Ch.E. 1990 Journal 36, 409. Ti(OC3H7)4(gas)TiO2+4C3H6+2H2O k=3.96105exp(-8479.7/T) • the detailed mechanism and kinetics of TTIP thermal decomposition are practically unknown.

  5. Research Objectives • to study of the structureof premixed flame stabilizedon a flat burner • H2/O2/Ar (12.9%/14.4%/72.7%) + 0.1% Ti(OC3H7)4, f = 0.45 • Numerical modeling of flame structure using one-step reaction for Ti(OC3H7)4thermal decomposition.

  6. EXPERIMENTALAPPROACH Measurement of Flame Structure Premixed laminar flame was stabilized on the flat burner. The profiles of concentration of flame species were measured using MBMS setup: Flame Burner with burner positioning mechanism

  7. EXPERIMENTALAPPROACH Alumina ceramic probe (sonic probe) on an enlarged scale The probe was clogged by TiO2 particles for 30-50 s of experiment and demanded cleaning.

  8. EXPERIMENTALAPPROACH Perforated Flame disk Steel balls Thermostat Ar 0 90 С Ti(OC H ) Combustible 3 7 4 mixture Thermostat 0 90 С Probe Combustible mixture (= 0,45 ) H2/O2/Ar (13/14.5/72.5 %)+ 0,12% Ti(OC3H7)4

  9. Identified flame species

  10. Hydrogen combustion mechanism Konnov A.A. Combustion and Flame, V. 152, pp. 507–528, (2008) Gas-phase reaction for thermal decomposition of Ti(OC3H7)4: Ti(OC3H7)4(gas)TiO2+4C3H6+2H2O k=3.96105exp(-8479.7/T) Okuyama K. et al, A.I.Ch.E. Journal, 36, 409–419 (1990) Thermochemistry forTi(OC3H7)4 и TiO2http://webbook.nist.gov/cgi/cbook.cgi PREMIX andCHEMKIN codes (Sandia National Laboratory, USA) MODELING

  11. Results and Discussion Spatial variations of H2O, O2, H2 mole fraction in H2/O2/N2 flame doped with 0.1% Ti(OC3H7)4 stabilized on a flat burner. Ar H2O O2 H2

  12. Results and Discussion Spatial variations of mass peak intensity m/z 269 and Ti(OC3H7)4mole fraction in H2/O2/N2 flame. Symbols – experiment, line - modeling

  13. Results and Discussion Spatial variations of mass peak intensity m/z=80 (TiO2) and TiO2mole fraction in H2/O2/N2 flame. Symbols – experiment, line - modeling

  14. Results and Discussion Spatial variations of mass peak intensity m/z=48 (Ti) in H2/O2/N2 flame. Symbols – experiment, line - spline

  15. Results and Discussion Spatial variations of mass peak intensity m/z=49 (TiH) in H2/O2/N2 flame. Symbols – experiment, line - spline

  16. Results and Discussion Spatial variations of mass peak intensity m/z=64 (TiO) in H2/O2/N2 flame. Symbols – experiment, line - spline

  17. Results and Discussion Spatial variations of mass peak intensity m/z=65 (HTiO) in H2/O2/N2 flame. Symbols – experiment, line - spline

  18. Results and Discussion Spatial variations of mass peak intensity m/z=81 (HTiO2) in H2/O2/N2 flame. Symbols – experiment, line - spline

  19. Results and Discussion Spatial variations of mass peak intensity m/z=96 (TiO3) in H2/O2/N2 flame. Symbols – experiment, line - spline

  20. Results and Discussion Spatial variations of mass peak intensity m/z=144 (Ti2O3) in H2/O2/N2 flame. Symbols – experiment, line - spline

  21. Conclusion 1. We were the first to measure mass-peak intensity profiles of Ti(OC3H7)4 and products of its combustion: Ti, TiH, TiO, TiO2, HTiO, HTiO2, TiO3, Ti2O3 in premixed H2/O2/N2 flame using the MBMS method. 2. A one-step reaction kinetic model for Ti(OC3H7)4 destruction used in the study, satisfactorily predicts the mass-peak intensity profile of TiO2 which is the main combustion product of Ti(OC3H7)4 in the studied flame, but poorly predicts the concentration profile of Ti(OC3H7)4.

  22. This research was supported by Russian Foundation for Basic Research under project #10-03-00442 Thank you!

  23. Results and Discussion Spatial variations of mass peak intensity of Ti-containing species in H2/O2/N2 flame. lines – spline for experiment Ti(OC3H7)4 TiO2 TiH HTiO TiO Ti TiO3 Ti2O3 HTiO2

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