Abstract
Simulations of autoignition and combustion processes in lean and ultra-lean hydrogen–air mixtures are performed in relation to safety aspects of nuclear power plants. Ignition delay times τ and laminar burning velocities SL are evaluated. Comparisons between simulation results obtained for temperatures ranging from 800 to 1700 K at initial pressures of 1 and 6 bar show that both the value of τ and the temperature-dependent behavior of autoignition characteristics vary weakly with hydrogen concentration in air. The largest difference between the values of τ predicted by different detailed kinetic mechanisms (DKMs) is observed at temperatures of 900 and 1100 K for pressures of 1 and 6 bar, respectively. The time to reach peak heat release significantly exceeds τ at initial temperatures above 1250 K. Simulations based on the different DKMs yield similar values of SL. It is concluded that each of the DKMs employed can provide satisfactory accuracy of simulations of autoignition and combustion processes in lean and ultra-lean hydrogen–air mixtures at pressures below 6 bar.
Similar content being viewed by others
REFERENCES
Y. Abou-Rjeily, G. Cénérino, A. Drozd, et al., IAEA-TECDOC-1661 (IAEA, Vienna, Austria, 2011).
M. F. Ivanov, A. D. Kiverin, and A. Ye. Smygalina, Vestn. Bauman Mosk. Tekh. Univ., Ser. Estestv. Nauk, No. 1, 89 (2013)
I. Kirillov, N. Kharitonova, R. Sharafutdinov, and N. Krenniikov, Nucl. Radiat. Safety J. 2 (84), 26 (2017).
I. S. Yakovenko, M. F. Ivanov, A. D. Kiverin, and K. S. Melnikova, Int. J. Hydrogen Energy 43, 1894 (2018).
I. Yakovenko, A. Kiverin, and K. Melnikova, Fluids 6, 21 (2021). https://doi.org/10.3390/fluids6010021
G. P. Smith, D. M. Golden, M. Frenklach, et al., GRI-Mech 3.0 (1999). http://www.me.berkeley.edu/gri_mech/.
P. Saxena and F. A. Williams, Combust. Flame 145, 316 (2006).
A. Konnov, Combust. Flame 152, 507 (2008).
T. le Cong and P. Dagaut, Proc. Combust. Inst. 32, 427 (2009).
Z. Hong, D. F. Davidson, and R. K. Hanson, Combust. Flame 158, 633 (2011).
K. Shimizu, A. Hibi, M. Koshi, Y. Morii, and N. Tsuboi, J. Propuls. Power 27, 383 (2011).
M. P. Burke, M. Chaos, Y. Ju, F. L. Dryer, and S. J. Klippenstein, Int. J. Chem. Kinet. 44, 444 (2012).
A. Keromnes, W. K. Metcalfe, K. A. Heufer, et al., Combust. Flame 160, 995 (2013).
V. A. Alekseev, M. Christensen, and A. A. Konnov, Combust. Flame 162, 1884 (2015).
P. A. Vlasov, V. N. Smirnov, and A. M. Tereza, Russ. J. Phys. Chem. B 10, 456 (2016). https://doi.org/10.1134/S1990793116030283
G. P. Smith, Y. Tao, and H. Wang, Foundational Fuel Chemistry Model, Version 1.0 (FFCM-1) (2016). https://web.stanford.edu/group/haiwanglab/FFCM1/ pages/download.html.
S. M. Hedayatzadeh, M. Soltanieh, E. Fatehifar, A. Heidarinasab, and M. R. J. Nasr, J. Res. Ecol. 4, 137 (2016).
O. V. Skrebkov, S. S. Kostenko, and A. L. Smirnov, Int. J. Hydrogen Energy 45, 3251 (2020).
Y. Zhang, J. Fu, M. Xie, and J. Liu, Int. J. Hydrogen Energy 46, 5799 (2021).
H. Hashemi, J. M. Christensen, S. Gersen, and P. Glarborg, Proc. Combust. Inst. 35, 553 (2015).
E. Hu, L. Pan, Z. Gao, X. Lu, X. Meng, and Z. Huang, Int. J. Hydrogen Energy 41, 13261 (2016).
D. L. Baulch, C. T. Bowman, C. J. Cobos, et al., J. Phys. Chem. Ref. Data 34, 757 (2005).
A. Schonborn, P. Sayad, A. A. Konnov, and J. Klingmann, Int. J. Hydrogen Energy 39, 12166 (2014).
V. A. Pavlov and G. Ya. Gerasimov, J. Eng. Phys. Thermophys. 87, 1291 (2014).
D. A. Frank-Kamenetskii, Diffusion and Heat Transfer in Chemical Kinetics (Plenum, New York, 1969)
E. L. Petersen, D. M. Kalitan, and M. J. A. Rickard, in Proceedings of the 39th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit (AIAA, AL, Huntsville, 2003), Rep. AIAA 2003-4493.
D. F. Davidson and R. K. Hanson, Int. J. Chem. Kinet. 36, 510 (2004).
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, and A. F. Wagner, Proc. Combust. Inst. 28, 1471 (2000).
J. Li, Z. Zhao, A. Kazakov, and F. L. Dryer, Int. J. Chem. Kinet. 36, 566 (2004).
V. V. Martynenko, O. G. Penyaz’kov, K. A. Ragotner, and S. I. Shabunya, J. Eng. Phys. Thermophys. 77, 785 (2004).
G. A. Pang, D. F. Davidson, and R. K. Hanson, Proc. Combust. Inst. 32, 181 (2009).
O. Mathieu, A. Levacque, and E. L. Petersen, Int. J. Hydrogen Energy 37, 15393 (2012). https://doi.org/10.1016/j.ijhydene.2012.07.071
C. R. Mulvihill and E. L. Petersen, Proc. Combust. Inst. 37, 259 (2019).
C. J. Aul, M. W. Crofton, J. D. Mertens, and E. L. Petersen, Proc. Combust. Inst. 33, 709 (2011).
A. E. Dahoe, J. Loss Prevent. Process Ind. 18, 152 (2005).
A. Ye. Smygalina, Ph. D. Theses (Bauman Moscow State Tech. Univ., Moscow, 2018).
S. P. Medvedev, G. L. Agafonov, S. V. Khomik, and B. E. Gelfand, Combust. Flame 157, 1436 (2010).
T. Weydahl, M. Poyyapakkam, M. Seljeskog, and N. E. L. Haugen, Int. J. Hydrogen Energy 36, 12025 (2011).
C. Olm, I. G. Zsely, R. Palvolgyi, et al., Combust. Flame 161, 2219 (2014).
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.
S. K. Abramov, V. V. Azatyan, G. R. Baimuratova et al., Russ. J. Phys. Chem. B 4, 923 (2010).
J. Grune, K. Sempert, H. Haberstroh, M. Kuznetsov, and T. Jordan, J. Loss Prevent. Process Ind. 26, 317 (2013).
CHEMKIN-Pro 15112, Reaction Design, CK-TUT-10112-1112-UG-1 (San Diego, 2011).
A. Burcat and B. Ruscic, Tech. Rep. ANL-05/20, TAE-960 (Argonne Natl. Labor., Tech.-Israel Inst. Technol., Chicago, IL, Tel-Aviv, 2005).
B. E. Gel’fand, O. E. Popov, S. P. Medvedev, et al., Dokl. Akad. Nauk 330, 457 (1993)
B. Lewis and G. von Elbe, Combustion, Flames and Explosions of Gases (Academic, New York, 1961)
N. M. Kuznetsov, The Kinetics of Monomolecular Reactions (Nauka, Moscow 1982) [in Russian]
N. N. Semenov, Chemical Kinetics and Chain Reactions (Clarendon, Oxford, 1935)
S. P. Medvedev, G. L. Agafonov, and S. V. Khomik, Acta Astronaut. 126, 150 (2016). https://doi.org/10.1016/j.actaastro.2016.04.019
A. D. Kiverin, Doctoral (Phys.-Math.) Dissertation (JIHT, Moscow, 2021).
V. Alekseev, PhD Theses (Lunds Univ., Lund, Sweden, 2015).
Funding
This work was supported by the Federal Research Center for Chemical Physics, Russian Academy of Sciences, state assignment no. 122040500073-4.
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
The authors declare that they have no conflicts of interest.
Rights and permissions
About this article
Cite this article
Tereza, A.M., Agafonov, G.L., Anderzhanov, E.K. et al. Numerical Simulation of Autoignition Characteristics of Lean Hydrogen–Air Mixtures. Russ. J. Phys. Chem. B 16, 686–692 (2022). https://doi.org/10.1134/S1990793122040297
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1990793122040297