Citation: LU Pengfei, GOU Yudan, HE Jiuning, LI Ping, ZHANG Changhua, LI Xiangyuan. Shock Tube Study of Methyl Pentanoate Ignition at High Temperatures[J]. Acta Physico-Chimica Sinica, ;2018, 34(6): 618-624. doi: 10.3866/PKU.WHXB201710252 shu

Shock Tube Study of Methyl Pentanoate Ignition at High Temperatures

1.
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China
2.
College of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China

Corresponding author: LI Ping, lpscun@scu.edu.cn
Received Date: 17 August 2017
Revised Date: 19 September 2017
Accepted Date: 11 October 2017
Available Online: 25 June 2017
Fund Project: The project was supported by the National Natural Science Foundation of China (91441132)the National Natural Science Foundation of China 91441132

Methyl pentanoate (MPE, C₆H₁₂O₂) is one of the intermediate produced species during the combustion of biodiesel and long-chain methyl esters. Until now, experimental results for MPE ignition are not available in literature, hence, a study on the ignition characteristics of MPE is necessary. In the present work, the ignition delay times for the gas phase of MPE/air and MPE/4%O₂/Ar were measured behind reflected shock waves. Experimental conditions included temperatures of 1050–1350 K, pressures of 1.5 × 10⁵ and 16 × 10⁵ Pa, and equivalence ratios of 0.5, 1, and 2 for MPE/air, and temperatures of 1210–1410 K, pressures of 3.5 × 10⁵ and 7 × 10⁵ Pa, and equivalence ratios of 0.75 and 1.25 for MPE/4%O₂/Ar. Ignition delay time was determined using the arrival of a reflected shock wave and the excited CH radical emission at the observation location, which is at a distance of 15 mm from the shock tube end wall. The obtained results indicate that as temperature or pressure increases, the ignition delay time of MPE/air and MPE/4%O₂/Ar mixtures decreases definitely. However, the effect of the equivalence ratio on the ignition delay time of MPE/air is different at high and low pressures, (16 × 10⁵ Pa: τ_ign = 5.43 × 10⁻⁶Ф^−0.411exp(1.73 × 10²/RT), 1.5 × 10⁵ Pa: τ_ign = 7.58 × 10⁻⁷Ф^0.193exp(2.11 × 10²/RT). In addition, an ignition delay correlation, i.e., τ_ign = 2.80 × 10⁻⁵(10⁻⁵P)^{−0.446±0.032}Ф^0.246±0.044exp((1.88 ± 0.03) × 10²/RT)), is developed for MPE/4%O₂/Ar in a pressure range of 3.5 × 10⁵–7 × 10⁵ Pa. This correlation shows that ignition delay depends on temperature, pressure, and the equivalence ratio, and it is useful for scaling experimental data to certain conditions for comparison purposes. In addition, the ignition delay times of MPE/air are considerably lower than that of MPE/4%O₂/Ar because the fuel concentration of MPE/air is significantly higher than that of MPE/4%O₂/Ar in the present ignition conditions. The ignition delay time behaviors of MPE were compared with those of other long-chain methyl esters, and results indicate that the ignition delay times of MPE are longer than those of long-chain methyl esters at lower temperatures (under 1200 K for MPE/air, under 1280 K for MPE/4%O₂/Ar). The two available chemical kinetic mechanisms of MPE cannot predict current measured data accurately, a further refinement of the mechanisms of MPE ignition is required. Sensitivity analyses indicate that the chain-branching reaction, H + O₂ = O + OH, plays the most promoting role in the high temperature ignition of MPE. To the best of the authors’ knowledge, this is the first study to report the high temperature experimental ignition delay data of MPE. The results of this study are useful for understanding the ignition characteristics of MPE and for providing measured data to refine the chemical kinetic mechanism of MPE.
- Ignition delay time,
- Methyl pentenoate,
- Shock tube,
- Sensitivity analysis,
- Kinetic mechanism
1. [1]
  Shao, P.; He, J. Z.; Sun, P. L.; Jiang, S. T. Biosyst. Eng. 2009, 102, 285. doi: 10.1016/j.biosystemseng.2008.11.014 doi: 10.1016/j.biosystemseng.2008.11.014
2. [2]
  Sarathy, S.; Thomson, M.; Pitz, W.; Lu, T. Proc. Combust. Inst. 2011, 33, 399. doi: 10.1016/j.proci.2010.06.058 doi: 10.1016/j.proci.2010.06.058
3. [3]
  Dayma, G.; Sarathy, S.; Togbé, C.; Yeung, C.; Thomson, M.; Dagaut, P. Proc. Combust. Inst. 2011, 33, 1037. doi: 10.1016/j.proci.2010.05.024 doi: 10.1016/j.proci.2010.05.024
4. [4]
  Togbe, C.; Dayma, G.; Mze-Ahmed, A.; Dagaut, P. Energy Fuels 2010, 24, 3906. doi: 10.1021/ef100484q doi: 10.1021/ef100484q
5. [5]
  Glaude, P. A.; Herbinet, O.; Bax, S.; Biet, J.; Warth, V.; Battin-Leclerc, F. Combust. Flame 2010, 157, 2035. doi: 10.1016/j.combustflame.2010.03.012 doi: 10.1016/j.combustflame.2010.03.012
6. [6]
  HadjAli, K.; Crochet, M.; Vanhove, G.; Ribaucour, M.; Minetti, R. Proc. Combust. Inst. 2009, 32, 239. doi: 10.1016/j.proci.2008.09.002 doi: 10.1016/j.proci.2008.09.002
7. [7]
  Haylett, D. R.; Davidson, D. F.; Hanson, R. K. Combust. Flame 2012, 159, 552. doi: 10.1016/j.combustflame.2011.08.021 doi: 10.1016/j.combustflame.2011.08.021
8. [8]
  Herbinet, O.; Pitz, W. J.; Westbrook, C. K. Combust. Flame 2010, 157, 893. doi: 10.1016/j.combustflame.2009.10.013 doi: 10.1016/j.combustflame.2009.10.013
9. [9]
  Westbrook, C. K.; Naik, C. V.; Herbinet, O.; Pitz, W. J.; Mehl, M.; Sarathy, S. M.; Curran, H. J. Combust. Flame 2011, 158, 742. doi: 10.1016/j.combustflame.2010.10.020 doi: 10.1016/j.combustflame.2010.10.020
10. [10]
  Nguyen, V. H.; Dinh, L. T. Biosyst. Eng. 2015, 134, 1. doi: 10.1016/j.biosystemseng.2015.03.009 doi: 10.1016/j.biosystemseng.2015.03.009
11. [11]
  Wang, W. J.; Oehlschlaeger, M. A. Combust. Flame 2012, 159, 476. doi: 10.1016/j.combustflame.2011.07.019 doi: 10.1016/j.combustflame.2011.07.019
12. [12]
  Campbell, M. F.; Davidson, D. F.; Hanson, R. K. Fuel 2014, 126, 271. doi: 10.1016/j.fuel.2014.02.050 doi: 10.1016/j.fuel.2014.02.050
13. [13]
  Wang, W. J.; Gowdagiri, S.; Oehlschlaeger, M. A. Combust. Flame 2014, 161, 3014. doi: 10.1016/j.combustflame.2014.06.009 doi: 10.1016/j.combustflame.2014.06.009
14. [14]
  Campbell, M. F.; Davidson, D. F.; Hanson, R. K. Fuel 2016, 164, 151. doi: 10.1016/j.fuel.2015.09.078 doi: 10.1016/j.fuel.2015.09.078
15. [15]
  Campbell, M. F.; Davidson, D. F.; Hanson, R. K.; Westbrook. C. K. Proc. Combust. Inst. 2013, 34, 419. doi: 10.1016/j.combustflame.2014.12.015 doi: 10.1016/j.combustflame.2014.12.015
16. [16]
  Akih-Kumgeh, B.; Bergthorson, J. M. Combust. Flame 2011, 158, 1037. doi: 10.1016/j.combustflame.2010.10.021 doi: 10.1016/j.combustflame.2010.10.021
17. [17]
  Zhang, Z. H.; Hu, E. J.; Peng, C.; Meng, X.; Chen, Y. Z.; Huang, Z. H. Energy Fuels 2015, 29, 2719. doi: 10.1021/acs.energyfuels.5b00316 doi: 10.1021/acs.energyfuels.5b00316
18. [18]
  Dmitriev, A. M.; Knyazkov, D. A.; Bolshova, T. A.; Shmakov, A. G.; Korobeinichev, O. P. Combust. Flame 2015, 162, 1964. doi: 10.1016/j.combustflame.2014.12.015 doi: 10.1016/j.combustflame.2014.12.015
19. [19]
  Dievart, P.; Won, S. E.; Gong, J.; Dooley, S.; Ju, Y. Proc. Combust. Inst. 2013, 34, 821. doi: 10.1016/j.proci.2012.06.180 doi: 10.1016/j.proci.2012.06.180
20. [20]
  Korobeinichev, O. P.; Gerasimov, I. E.; Knyazkov, D. A.; Shmakov, A. G.; Bolshova, T. A.; Hansen, N.; Westbrook, C. K.; Dayma, G.; Yang, B. Z. Phys. Chem. 2015, 229, 759. doi: 10.1515/zpch-2014-0596 doi: 10.1515/zpch-2014-0596
21. [21]
  Yang, B.; Westbrook, C. K.; Cool, T. A.; Hansen, N.; Kohse-Hoinghaus, K. Phys. Chem. Chem. Phys. 2011, 13, 6901. doi: 10.1039/c0cp02065f doi: 10.1039/c0cp02065f
22. [22]
  He, J. N.; Yong, K. L.; Zhang, W. F.; Li, P.; Zhang, C. H.; Li, X. Y. Energy Fuels 2016, 30, 8886. doi: 10.1021/acs.energyfuels.6b01122 doi: 10.1021/acs.energyfuels.6b01122
23. [23]
  Yong, K. L.; He, J. N.; Zhang, W. F.; Xian, L. Y.; Zhang, C. H.; Li, P.; Li, X. Y. Fuel 2017, 188, 567. doi: 10.1016/j.fuel.2016.09.054 doi: 10.1016/j.fuel.2016.09.054
24. [24]
  He, J. N.; Li. Y. L.; Zhang. C. H.; Li. P.; Li. X. Y. Acta Phys. -Chim. Sin. 2015, 31, 836. doi: 10.3866/PKU.WHXB201503121
25. [25]
  Darcy, D.; Tobin, C. J.; Yasunaga, K. Combust. Flame 2012, 159, 2219. doi: 10.1016/j.combustflame.2012.02.009 doi: 10.1016/j.combustflame.2012.02.009
26. [26]
  Shen, H. P. S.; Vanderover, J.; Oehlschlaeger, M. A. Proc. Combust. Inst. 2009, 32, 165. doi: 10.1016/j.proci.2008.05.004 doi: 10.1016/j.proci.2008.05.004
27. [27]
  Zhu, Y.; Davidson, D. F.; Hanson, R. K. Combust. Flame 2014, 161, 371. doi: 10.1016/j.proci.2008.05.004 doi: 10.1016/j.proci.2008.05.004
28. [28]
  Knothe, G.; Cermak, S. C.; Evangelista, R. L. Energy Fuels 2009, 23, 1743. doi: 10.1021/ef800958t doi: 10.1021/ef800958t
29. [29]
  Akih-Kumgeh, B.; Bergthorson, J. M. Energy Fuels 2010, 24, 2439. doi: 10.1021/ef901489k doi: 10.1021/ef901489k
30. [30]
  Kumar, K.; Mittal, G.; Sung, C. J.; Law C. K. Combust. Flame 2008, 153, 343. doi:10.1016/j.combustflame.2007.11.012 doi: 10.1016/j.combustflame.2007.11.012
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