Citation: ZHENG Dong, XIONG Pengfei, ZHONG Beijing. Chemical Kinetic Model for the Combustion of the Green Propellant of the Nitrous Oxide Fuel Blend[J]. Acta Physico-Chimica Sinica, ;2019, 35(11): 1241-1247. doi: 10.3866/PKU.WHXB201812031 shu

Chemical Kinetic Model for the Combustion of the Green Propellant of the Nitrous Oxide Fuel Blend

1.
School of Mechanical Engineering, Southwest Jiaotong University, Chengdu 610031, P. R. China
2.
Airbreathing Hypersonic Technology Research Center, China Aerodynamics Research and Development Center, Mianyang 621000, Sichuan Province, P. R. China
3.
School of Aerospace Engineering, Tsinghua University, Beijing 100084, P. R. China

Corresponding author: ZHENG Dong, zhengd11@yeah.net
Received Date: 18 December 2018
Revised Date: 1 January 2019
Accepted Date: 1 January 2019
Available Online: 21 November 2019
Fund Project: The project was supported by the National Natural Science Foundation of China (51606212) and Fundamental Research Funds for the Central Universities, China (2682017CX035)Fundamental Research Funds for the Central Universities, China 2682017CX035the National Natural Science Foundation of China 51606212

In order to meet high-performance propulsion system requirements for aerospace technology and severe future restrictions on hydrazine use, research on non-toxic, high-performance, and low-cost propulsion technology is urgently needed. The N₂O-C₂ hydrocarbon monopropellant NOFBX (Nitrous Oxide Fuel Blend) provides significant benefits for meeting these criteria and has become a focus of increased research in recent years. In this study, a chemical kinetic model for NOFBX combustion that integrates the reduced C₂ sub-mechanism, the N₂O sub-mechanism in the literature, and the N₂O/CH species reaction mechanism has been developed. The present mechanism consists of 52 species and 325 elementary reactions. For better predictions of ignition and combustion characteristics, the kinetic parameters of the sensitive reactions with comparatively high rate constant uncertainties have been revised. The present model has been validated against published experimental data, including flow reactor results on N₂O/H₂O/N₂ mixture decomposition, shock tube ignition delay times on N₂O/C₂ hydrocarbons diluted with N₂ or Ar mixtures, heat flux of flat flame laminar flame speeds on N₂O/C₂H₂ diluted with N₂ mixtures, and Bunsen flame laminar flame speeds on N₂O/C₂H₄ diluted with N₂ mixtures. Additionally, this study compares the new model to other published small hydrocarbon fuel kinetic models with a NO_x sub-mechanism. The experimental validations show that the present model accurately captures the nitrous oxide decomposition process and precisely predicts N₂O, O₂, NO, and NO₂ vital species concentration distributions. For all N₂O-C₂ hydrocarbon fuel systems (ethane-, ethylene-, and acetylene-nitrous oxide), the ignition delay times predicted by the present model are in good agreement with the experimental data. Furthermore, at a wider range of initial temperatures (1100-1700 K), initial pressures (0.1-1.6 MPa), and equivalence ratios (0.5-2.0) for the ignition delay times of ethylene-nitrous oxide, the present model exhibits improved predictions of experimental data. For the laminar flame speeds of N₂O-C₂H₂ and N₂O-C₂H₄ mixtures, the present model generally exhibits satisfactory predictions of the experimental data over the whole range of equivalence ratios (0.6-2.0). However, at initial pressure 0.1 MPa and equivalence ratios of 1.0-1.6 for N₂O-C₂H₄ laminar flame speeds, the present model slightly underestimates experimental data. Considering the much higher uncertainty of the measured laminar flame speeds by the Bunsen flame method, this discrepancy is acceptable. Due to the small scale, full experimental validations and good applicability, the present model can be used to further research on multi-dimensional combustion simulation in NOFBX engine combustors.
- Nitrous,
- Small hydrocarbons,
- Chemical mechanism,
- Ignition delay time,
- Green propellant
1. [1]
  Gohardani, A. S.; Stanojev, J.; Demairé, A.; Anflo, K.; Persson, M.; Wingborg, N.; Nilsson, C. Prog. Aerosp. Sci. 2014, 71 (Supplement C), 128. doi: 10.1016/j.paerosci.2014.08.001 doi: 10.1016/j.paerosci.2014.08.001
2. [2]
  Zhu, C. C.; Han, W.; Yu, X. L.; Shan S. Q.; Shi, X. M. J. Rocket Propul. 2016, 42 (2), 79. doi: 10.3969/j.issn.1672-9374.2016.02.015
3. [3]
  He, F.; Fang, T.; Li, Y. Y.; Mi, Z. T. Chin. J. Expl. Prop. 2006, 29 (4), 54. doi: 10.3969/j.issn.1007-7812.2006.04.015
4. [4]
  Ba, Y. T.; Hou, L. Y.; Mao, X. F.; Wang, F. S. Acta Phys. -Chim. Sin. 2014, 30, 1042. doi: 10.3866/PKU.WHXB201404093
5. [5]
  Tian, J. J.; Zhang, Q. H. Chin. J. Energ. Mater. 2014, 5, 580. doi: 10.3969/j.issn.1006-9941.2014.05.001
6. [6]
  Liu, X. W. J. Rocket Propul. 2001, 1, 56. doi: 10.3969/j.issn.1672-9374.2001.01.011
7. [7]
  Song, C. Q.; Xu, W. W.; Zhang, J. Q.; Chen, J. J. Rocket Propul. 2014, 40 (2), 7. doi: 10.3969/j.issn.1672-9374.2014.02.002
8. [8]
  Taylor, R. Safety and Performance Advantages of Nitrous Oxide Fuel Blends (NOFBX) Propellants for Manned and Unmanned Spaceflight Applications, Proc. the IAASS Conference A Safer Space for a Safer World, Versaille, France, 2011, (ESA SP-699, January 2012).
9. [9]
  Parker, W. G.; Wolfhard, H. G. Symp. (Int.) Combust. 1953, 4, 420. doi: 10.1016/S0082-0784(53)80058-5
10. [10]
  Aldous, K. M.; Bailey, B. W.; Rankin, J. M. Anal. Chem. 1972, 44, 191. doi: 10.1021/ac60309a036 doi: 10.1021/ac60309a036
11. [11]
  Powell, O. A.; Papas, P.; Dreyer, C. Combust. Sci. Technol. 2009, 181, 917. doi: 10.1080/00102200902817066 doi: 10.1080/00102200902817066
12. [12]
  Naumann, C.; Kick, T.; Methling, T. Green Propellant Substituting Hydrazine: Investigation of Ignition Delay Time and Laminar Flame Speed of Ethene/Dinitrogen Oxide Mixtures. European Combustion Meeting 26th. Boston, MA, USA, 2017.
13. [13]
  Mével, R.; Shepherd, J. E. Shock Waves. 2015, 25, 217. doi: 10.1007/s00193-014-0509-4 doi: 10.1007/s00193-014-0509-4
14. [14]
  Deng, F.; Pan, Y.; Sun, W.; Yang, F.; Zhang, Y.; Huang, Z. Energy & Fuels 2017, 31, 14116. doi: 10.1021/acs.energyfuels.7b01425 doi: 10.1021/acs.energyfuels.7b01425
15. [15]
  Konnov, A. A. Detailed Reaction Mechanism for Small Hydrocarbons Combustion. Release 0.5 (2000) http://homepages.vub.ac.be/~akonnov/ (accessed Feb 11, 2009).
16. [16]
  Dagaut, P.; Nicolle, A. Combust. Flame 2005, 140, 161. doi: 10.1016/j.combustflame.2004.11.003 doi: 10.1016/j.combustflame.2004.11.003
17. [17]
  Smith, G. P.; Golden, D. M.; Frenklach, M.; Moriarty, N. W.; Eiteneer, B.; Goldenberg, M.; Bowman, C. T.; Hanson, R. K. GRI-mech release 3.0. http://www.me.berkeley.edu/gri/ (accessed Jun 4, 2018).
18. [18]
  Metcalfe, W. K.; Burke, S. M.; Ahmed, S. S.; Curran, H. J. Int. J. Chem. Kinet. 2013, 45, 638. doi: 10.1002/kin.20802 doi: 10.1002/kin.20802
19. [19]
  Powell, O. A.; Papas, P.; Dreyer, C. B. Combust. Sci. Technol. 2010, 182, 252. doi: 10.1080/00102200903357724 doi: 10.1080/00102200903357724
20. [20]
  Wang, H.; You, X.; Joshi, A. V.; Davis, S. G.; Laskin, A.; Egolfopoulos, F.; Law, C. K. USC Mech Version Ⅱ. http://ignis.usc.edu/USC_Mech_Ⅱ.htm, May 2007 (accessed Jun 4, 2018).
21. [21]
  Wang, Q. D. Energy & Fuels 2013, 27, 4021. doi: 10.1021/ef4007774 doi: 10.1021/ef4007774
22. [22]
  Marshall, P.; Ko, T.; Fontijn, A. J. Phys. Chem. 1989, 93, 1922. doi: 10.1021/j100342a045 doi: 10.1021/j100342a045
23. [23]
  Konnov, A. A. Combust. Flame 2009, 156, 2093. doi: 10.1016/j.combustflame.2009.03.016 doi: 10.1016/j.combustflame.2009.03.016
24. [24]
  Allen, M. T.; Yetter, R. A.; Dryer, F. L. Int. J. Chem. Kinet. 1995, 27, 883. doi: 10.1002/kin.550270906 doi: 10.1002/kin.550270906
25. [25]
  Meagher, N. E.; Anderson, W. R. J. Phys. Chem. A 2000, 104, 6013. doi: 10.1021/jp994471n doi: 10.1021/jp994471n
26. [26]
  Mével, R.; Javoy, S.; Lafosse, F.; Chaumeix, N.; Dupré, G.; Paillard, C. E. P. Combust. Inst. 2009, 32, 359. doi: 10.1016/j.ijhydene.2009.08.054 doi: 10.1016/j.ijhydene.2009.08.054
27. [27]
  Zhang, Y.; Mathieu, O.; Petersen, E. L.; Bourque, G.; Curran, H. J. Combust. Flame 2017, 182, 122. doi: 10.1016/j.combustflame.2017.03.019 doi: 10.1016/j.combustflame.2017.03.019
28. [28]
  Giménez-López, J.; Alzueta, M. U.; Rasmussen, C. T.; Marshall, P.; Glarborg, P. P. Combust. Inst. 2011, 33, 449. doi: 10.1016/j.proci.2010.05.098 doi: 10.1016/j.proci.2010.05.098
29. [29]
  Zheng, D.; Zhong, B. J. Acta Phys. -Chim. Sin. 2012, 28, 2029. doi: 10.3866/PKU.WHXB201207042
30. [30]
  Kee, R. J.; Rupley, F. M.; Miller, J. A. CHEMKIN Release 4.1, Reaction Design: San Diego, CA, USA. 2006.
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