Abstract
The initiation of the autoignition of hydrogen–oxygen–argon mixtures behind reflected shock waves is studied by absorption and emission spectrophotometry in the temperature range of 960 < T < 1670 K at pressures of ~0.1 MPa. Introduction of Mo(CO)6 additive in an amount of ~80 ppm made it possible to study the effect of O atoms on the shortening of the ignition delay time of H2–O2–Ar mixtures. A kinetic modeling of our own and published experimental data at temperatures of 930 < T < 2500 K and pressures of 0.05 < P < 8.7 MPa enabled to establish how the initiation reactions influence the process of self-ignition and to evaluate the rate constant for one of the initiation reactions: k(H2 + O2 → 2OH) = (3 ± 1) × 1011exp(–E a/RT), cm3 mol–1 s–1, where E a = (40 ± 2) kcal/mol.
Similar content being viewed by others
References
E. Yamada, N. Kitabayashi, A. K. Hayashi, et al., Int. J. Hydrogen Energy 36, 256 (2011).
B. E. Gel’fand, M. V. Sil’nikov, S. P. Medvedev, et al., Thermal Gas Dynamics of Hydrogen Combustion and Explosion (Politekh. Univ, St. Petersburg, 2009) [in Russian].
A. A. Abagyan, E. O. Adamov, and E. V. Burlakov, in Proceedings of the IAEA International Conference on One Decade After Chernobyl: Nuclear Safety Aspects (Springer, Vienna, Austria, 1996), Report IAEA-J4-TC972, p. 46.
F. L. Dryer and M. Chaos, Combust. Flame 152, 293 (2008).
A. Schonborn, P. Sayad, A. A. Konnov, et al., Int. J. Hydrogen Energy 39, 12166 (2014).
C. Olm, I. G. Zsely, R. Palvolgyi, et al., Combust. Flame 161, 2219 (2014).
V. A. Pavlov and G. Ya. Gerasimov, J. Eng. Phys. Thermophys. 87, 1291 (2014).
T. Weydahla, M. Poyyapakkamb, M. Seljeskoga, et al., Int. J. Hydrogen Energy 36, 12025 (2011).
S. P. Medvedev, G. L. Agafonov, S. V. Khomik, and B. E. Gelfand, Combust. Flame 157, 1436 (2010).
W. Tang and K. Brezinsky, Int. J. Chem. Kinet. 38, 75 (2006).
F. L. Dryer, F. M. Haas, J. Santner, et al., Progress Energy Combust. Sci. 44, 19 (2014).
G. A. Pang, D. F. Davidson, and R. K. Hanson, in Proceedings of the 32nd International Symposium on Combustion (The Combust. Inst., Pittsburgh, PA, 2009), p. 181.
A. V. Drakon, A. V. Emelianov, A. V. Eremin, et al., Phys. Rev. Lett. 109, 183201 (2012).
A. P. Genich, S. V. Kulikov, G. B. Manelis, and S. L. Chereshnev, Izv. Akad. Nauk, Ser. Mekh. Zhidk. Gaza, No. 2, 144 (1990).
O. G. Divakov, A. V. Eremin, V. S. Ziborov, and V. E. Fortov, Dokl. Chem. 373, 141 (2000).
O. V. Skrebkov and S. P. Karkach, Kinet. Catal. 48, 367 (2007).
B. E. Gelfand, O. E. Popov, S. P. Medvedev, et al., in Proceedings of the 20th International Symposium on Shock Waves (Panther, Great Keppel Island, Austalia, 1995), p. 303.
Z. Hong, PhD Dissertation (Stanford Univ., Stanford, CA, 2010).
J. Urzay, N. Kseib, D. F. Davidson, et al., Combust. Flame 161, 1 (2014).
S. G. Zaytzev and R. I. Soloukhin, in Proceedings of the 8th International Symposium on Combustion (Williams and Wilkins, Baltimore, MD, 1961), p. 344.
V. V. Martynenko, O. G. Penyaz’kov, K. A. Ragotner, and S. I. Shabunya, Inzh.-Fiz. Zh. 77 4, 100 (2004).
S. Pirozzoli, F. Grasso, and T. B. Gatski, Phys. Fluids 16, 530 (2004).
E. Dzieminska and A. K. Hayashi, Int. J. Hydrogen Energy 38, 4185 (2013).
A. A. Borisov, N. M. Rubtsov, G. I. Skachkov, and K. Ya. Troshin, Russ. J. Phys. Chem. B 6, 517 (2012).
V. V. Leshchevich and O. G. Penyaz’kov, in Combustion and Explosion, Ed. by S. M. Frolov (Torus Press, Moscow, 2012), No. 5, p. 16 [in Russian].
E. S. Losik, V. V. Leshchevich, K. L. Sevruk, and O. G. Penyaz’kov, in Combustion and Explosion, Ed. by S. M. Frolov (Torus Press, Moscow, 2012), No. 5, p. 11 [in Russian].
G. L. Agafonov and A. M. Tereza, Russ. J. Phys. Chem. B 9, 92 (2015).
S. P. Karach and V. I. Osherov, J. Chem. Phys. 110, 11918 (1999).
E. Axdahl, A. Kumar, and A. Wilhite, Paper No. 2013-3900 (AIAA, Reston, VA, 2013). http://wwwvulcan-cfdlarcnasa. gov/WebPage_manual/vulcan_manual_nschap9html.
D. G. Goodwin, Defining Phases and Interfaces, CANTERA 1.5 (California Inst. Technology, Pasadena, CA, 2003), p. 66. http://wwwcanteraorg/docs/sphinx/ html/matlab/input-tutorialhtml.
A. V. Eletskii, A. N. Starostin, and M. D. Taran, Phys. Usp. 48, 281 (2005).
D. L. Ripley and W. C. Gardner, J. Chem. Phys. 44, 2285 (1966).
V. P. Balakhnin, Yu. M. Gershenzon, V. N. Kondrat’ev, and A. B. Nalbandyan, Dokl. Akad. Nauk SSSR 170, 1117 (1966).
F. E. Belles and T. A. Brabbs, in Proceedings of the 13th International Symposium on Combustion (The Combust. Inst., Pittsburgh, PA, 1971), p. 165.
C. J. Jachimowski and W. M. Houghton, Combust. Flame 17, 25 (1971).
V. V. Azatyan, E. N. Aleksandrov, and A. F. Troshin, Kinet. Katal. 16, 306 (1975).
E. V. Stupochenko, S. A. Losev, and A. I. Osipov, Relaxation Processes in Shock Waves (Nauka, Moscow, 1965) [in Russian].
G. Herzberg, Molecular Spectra and Molecular Structure, I. Diatomic Molecules (New York, 1939; Mir, Moscow, 1949).
B. P. Levitt, Physical Chemistry of Fast Reactions (Plenum, Oxford, 1973).
I. Glassman, Combustion, 3rd ed. (Academic, San Diego, CA, 1996).
K. E. Lewis, D. M. Golden, and G. P. Smith, J. Am. Chem. Soc. 106, 3905 (1984).
U. S. Akhmadov, I. S. Zaslonko, and V. N. Smirnov, Kinet. Katal. 29, 942 (1988).
R. J. Kee, F. M. Rupley, E. Meeks, and J. A. Miller, CHEMKIN III, Tech. Report No. SAND96-8216 (Sandia Natl. Laboratories, Livermore, CA, 1996).
A. Burcat, Report No. TAE-867 (Technion-Israel Inst. Technol., Tel-Aviv, 2001). http://garfieldchemeltehu/ Burcat/burcathtml.
D. A. Masten, R. K. Hanson, and C. T. Bowman, J. Phys. Chem. 94, 7119 (1990).
J. V. Michael, J. W. Sutherland, L. B. Harding, et al., in Proceedings of the 28th International Symposium on Combustion (The Combust. Inst., Pittsburgh, PA, 2000), p. 1471.
J. T. Herbon, R. K. Hanson, D. M. Golden, and C. T. Bowman, in Proceedings of the 29th International Symposium on Combustion (The Combust. Inst., Pittsburgh, PA, 2002), p. 1201.
H. Wang, S. J. Warner, M. A. Oehlschlaeger, et al., Combust. Flame 157, 1976 (2010). http://ignisuscedu/USC_Mech_IIhtml.
D. Fernandez-Galisteo, A. L. Sanchez, A. Linan, and F. A. Williams, Combust. Theory Model. 13 4, 74 (2009). http://webengucsdedu/mae/groups/combustion/ mechanismhtml.
Z. Hong, D. F. Davidson, and R. K. Hanson, Combust. Flame 158, 633 (2011).
M. O’Conaire, H. J. Curran, J. M. Simmie, et al., Int. J. Chem. Kinet. 36, 603 (2004). https://www-plsllnl. gov/?url=science_and_technology-chemistry-combustion- c8c16_n_alkanes.
M. P. Burke, Y. Ju, L. Frederick, et al., in Proceedings of the 49th AIAA Aerospace Sci. Meeting including the New Horizons Forum and Aerospace Exposition (AIAA, Orlando, FL, 2011), Paper 2011-93.
M. W. Slack, Combust. Flame 28, 241 (1977).
Y. Hidaka, K. Sato, Y. Henmi, et al., Combust. Flame 118, 340 (1999).
E. L. Petersen, D. M. Kalitan, and M. J. A. Rickard, in Proceedings of the 3rd Joint Meeting (US Combust. Inst. Chicago, IL, 2003), paper C25/PL05.
E. L. Petersen, D. F. Davidson, M. Rohrig, and R. K. Hanson, in Proceedings of the 20th International Symposium on Shock Waves (Panther, Great Keppel Island, Australia, 1995), p. 941.
W. Tsang and R. F. Hampson, J. Phys. Chem. Ref. Data 15, 1087 (1986).
D. L. Baulch, C. J. Cobos, R. A. Cox, et al., J. Phys. Chem. Ref. Data 21, 411 (1992).
J. W. Sutherland, P. M. Patterson, and R. B. Klemm, in Proceedings of the 23rd International Symposium on Combustion (The Combust. Inst., Pittsburgh, PA, 1991), p. 51.
D. L. Baulch, C. J. Cobos, R. A. Cox, et al., J. Phys. Chem. Ref. Data 23, 847 (1994).
J. Troe, J. Phys. Chem. A 109, 8320 (2005).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © P.A. Vlasov, V.N. Smirnov, A.M. Tereza, 2016, published in Khimicheskaya Fizika, 2016, Vol. 35, No. 6, pp. 35–48.
Rights and permissions
About this article
Cite this article
Vlasov, P.A., Smirnov, V.N. & Tereza, A.M. Reactions of initiation of the autoignition of H2–O2 mixtures in shock waves. Russ. J. Phys. Chem. B 10, 456–468 (2016). https://doi.org/10.1134/S1990793116030283
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1990793116030283