Abstract
Chemiluminescence has been observed since the beginning of spectroscopy, nevertheless, important facts still remain unknown. Especially, reaction pathways leading to chemiluminescent species such as OH∗, CH∗, \(\mathrm{C}_{2}^{*}\), and \(\mathrm{CO}_{2}^{*}\) are still under debate and cannot be modeled with standard codes for flame simulation. In several cases, even the source species of spectral features observed in flames are unknown. In recent years, there has been renewed interest in chemiluminescence, since it has been shown that this radiation can be used to determine flame parameters such as stoichiometry and heat release under some conditions.
In this work, we present a reaction mechanism which predicts the OH∗, CH∗ (in A- and B-state), and \(\mathrm{C}_{2}^{*}\) emission strength in lean to fuel-rich stoichiometries. Measurements have been performed in a set of low-pressure flames which have already been well characterized by other methods. The flame front is resolved in these measurements, which allows a comparison of shape and position of the observed chemiluminescence with the respective simulated concentrations. To study the effects of varying fuels, methane flame diluted in hydrogen are measured as well. The 14 investigated premixed methane–oxygen–argon and methane–hydrogen–oxygen–argon flames span a wide parameter field of fuel stoichiometry (ϕ=0.5 to 1.6) and hydrogen content (H2 vol%=0 to 50).
The relative comparison of measured and simulated excited species concentrations shows good agreement. The detailed and reliable modeling for several chemiluminescent species permits correlating heat release with all of these emissions under a large set of flame conditions. It appears from the present study that the normally used product of formaldehyde and OH concentration may be less well suited for such a prediction in the flames under investigation.
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References
D.L. Baulch, C.T. Bowman, C.J. Cobos, R.A. Cox, Th. Just, J.A. Kerr, M.J. Pilling, D. Stocker, J. Troe, W. Tsang, R.W. Walker, J. Warnatz, J. Phys. Chem. Ref. Data 34, 757 (2005)
F. Biagioli, F. Göthe, B. Schuermans, Exp. Therm. Fluid Sci. 32, 1344 (2008)
M. Bozkurt, M. Fikri, C. Schulz, Appl. Phys. B, Lasers Opt., (2012, in press)
A. Brockhinke, M. Letzgus, S. Rinne, K. Kohse-Höinghaus, J. Phys. Chem. A 110, 3028 (2006)
S. Candel, Proc. Combust. Inst. 29, 1 (2002)
C. Chen, Y. Sheng, S. Yu, X. Ma, J. Chem. Phys. 101, 5727 (1994)
J. Cooper, J. Whitehead, J. Chem. Soc. Faraday Trans. 88, 2323 (1992)
J. Cooper, J. Whitehead, J. Phys. Chem. 98, 8274 (1994)
D.R. Crosley, K.J. Rensberger, R.A. Copeland, in Selectivity in Chemical Reactions, ed. by J.C. Whitehead (Kluwer, Dordrecht, 1988), p. 543
A.G. Gaydon, The Spectroscopy of Flames (Wiley, New York, 1974)
E. Goos, A. Burcat, B. Ruscic, New NASA thermodynamic polynomials database with active thermochemical tables updates, Report ANL 05/20 TAE 960 (2011)
P. Gopalakrishnan, M.K. Bobba, J.M. Seitzman, Proc. Combust. Inst. 31, 3401 (2007)
L. Haber, U. Vandsburger, Combust. Sci. Technol. 175, 2003 (1859)
J. Hall, E. Petersen, Int. J. Chem. Kinet. 38, 714 (2006)
J. Hall, J. Vries, A. Amadio, E. Petersen, in Aerospace Sciences Meeting and Exhibit, vol. 43 (2005). AIAA 2005-1318
C. Hand, G. Kistiakowsky, J. Chem. Phys. 37, 1239 (1962)
Y. Hardalupas, M. Orain, C.S. Panoutsos, A.M.K.P. Taylor, J. Olofsson, H. Seyfried, M. Richter, J. Hult, M. Aldén, F. Hermann, J. Klingmann, Appl. Therm. Eng. 24, 1619 (2004)
T. Kathrotia, Ph.D. Thesis, Universität Heidelberg (2011). Available online: http://archiv.ub.uni-heidelberg.de/volltextserver/volltexte/2011/12027/
T. Kathrotia, U. Riedel, J. Warnatz, in 4th European Combustion Meeting. (2009). Paper 2
T. Kathrotia, M. Fikri, M. Bozkurt, M. Hartmann, U. Riedel, C. Schulz, Combust. Flame 157, 1261 (2010)
M. Köhler, A. Brockhinke, M. Braun-Unkhoff, K. Kohse-Höinghaus, J. Phys. Chem. A 114, 4719 (2010)
K. Kohse-Höinghaus, A. Brockhinke, Combust. Explos. Shock Waves 45, 349 (2009)
J. Kojima, Y. Ikeda, T. Nakajima, Proc. Combust. Inst. 28, 1757 (2000)
J. Kojima, Y. Ikeda, T. Nakajima, Combust. Flame 140, 34 (2005)
S. Krishnamachari, H. Broida, J. Chem. Phys. 34, 1709 (1961)
J. Luque, D.R. Crosley, LIFBASE (version 2.0.6), Report MP 99-009, SRI International, Menlo Park, CA (1999)
U. Maas, Appl. Math. 40, 249 (1995)
U. Maas, J. Warnatz, Combust. Flame 74, 53 (1988)
A. McIlroy, Chem. Phys. Lett. 296, 151 (1998)
J. Miller, C. Melius, Combust. Flame 91, 21 (1992)
H. Najm, P. Paul, C. Mueller, P. Wyckoff, Combust. Flame 113, 312 (1998)
P. Nau, J. Krüger, A. Lackner, M. Letzgus, A. Brockhinke, Appl. Phys. B, Lasers Opt., (2012, in press)
V. Nori, J. Seitzman, Proc. Combust. Inst. 32, 895 (2009)
C. Panoutsos, Y. Hardalupas, A.M.K.P. Taylor, Combust. Flame 156, 273 (2009)
P.H. Paul, J.L. Durant Jr., J.A. Gray, J. Chem. Phys. 102, 8378 (1955)
K. Rensberger, M. Dyer, R. Copeland, Appl. Opt. 27, 3679 (1988)
G. Richmond, M.L. Costen, K.G. McKendrick, J. Phys. Chem. A 109, 542 (2005)
M. Savadatti, H. Broida, J. Chem. Phys. 45, 2390 (1966)
K. Schofield, M. Steinberg, J. Phys. Chem. A 111, 2098 (2007)
G.P. Smith, D.M. Golden, M. Frenklach, N.W. Moriarty, B. Eiteneer, M. Goldenberg, C.T. Bowmann, R.K. Hanson, S. Song, W.C. Gardiner Jr., V.V. Lissianski, Z. Qin, GRI-mech 3.0, University of California, Berkeley, CA. (1999)
G. Smith, J. Luque, C. Park, J. Jeffries, D. Crosley, Combust. Flame 131, 59 (2002)
G. Smith, C. Park, J. Luque, Combust. Flame 140, 385 (2005)
G. Smith, C. Park, J. Schneiderman, J. Luque, Combust. Flame 141, 66 (2005)
U. Struckmeier, P. Oßwald, T. Kasper, L. Böhling, M. Heusing, M. Köhler, A. Brockhinke, K. Kohse-Höinghaus, Z. Phys. Chem. 223, 503 (2009)
C.A. Taatjes, N. Hansen, D.L. Osborn, K. Kohse-Höinghaus, T.A. Cool, P.R. Westmoreland, Phys. Chem. Chem. Phys. 10, 20 (2008)
M. Tamura, P. Berg, J. Harrington, J. Luque, J. Jeffries, G. Smith, D. Crosley, Combust. Flame 114, 502 (1998)
J.W. Thoman Jr., A.J. McIlroy, Phys. Chem. A 104, 4953 (2000)
T. Turanyi, Comput. Chem. 14, 253 (1990)
C.M. Vagelopoulos, J.H. Frank, Proc. Combust. Inst. 30, 241 (2005)
S. Wagner, M. Klein, T. Kathrotia, U. Riedel, T. Kissel, A. Dreizler, V. Ebert, Appl. Phys. B, Lasers Opt. (2012 in press). doi:10.1007/s00340-012-4953-5
B.A. Williams, L. Pasternack, Combust. Flame 111, 87 (1997)
Acknowledgements
The authors thank Katharina Kohse-Höinghaus for support and helpful discussions. Deutsche Forschungsgemeinschaft (DFG) has funded this work under contracts RI 839/4-2, KO 1363/21-2, PAK 116/1 and 116/2 and SFB 686 TP C5.
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Kathrotia, T., Riedel, U., Seipel, A. et al. Experimental and numerical study of chemiluminescent species in low-pressure flames. Appl. Phys. B 107, 571–584 (2012). https://doi.org/10.1007/s00340-012-5002-0
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DOI: https://doi.org/10.1007/s00340-012-5002-0