Citation: ZHENG Zhao-Lei, LIANG Zhen-Long. Reduced Chemical Kinetic Model of a Gasoline Surrogate Fuel for HCCI Combustion[J]. Acta Physico-Chimica Sinica, ;2015, 31(7): 1265-1274. doi: 10.3866/PKU.WHXB201505131 shu

Reduced Chemical Kinetic Model of a Gasoline Surrogate Fuel for HCCI Combustion

1.
Key Laboratory of Low-Grade Energy Utilization Technologies and Systems, Ministry of Education, Chongqing University, Chongqing 400044, P. R. China

Received Date: 13 January 2015
Available Online: 13 May 2015
Fund Project: 国家自然科学基金(51376202) (51376202)中央高校基本科研基金(CDJZR13145501)资助项目 (CDJZR13145501)

A new reduced chemical kinetic model that includes 103 species and 199 reactions is developed and used to describe the oxidation of a gasoline surrogate fuel consisting of n-heptane, iso-octane, toluene, and diisobutylene (DIB) for homogeneous charge compression ignition (HCCI). DIB is mainly consumed by Habstraction reactions by OH radicals to form three isomers, namely JC₈H₁₅- A, JC₈H₁₅- B, and JC₈H₁₅- D. Decomposition reaction is also one of the main reactions of DIB consumption, and this process forms two important C₄ products, namely TC₄H₉ and IC₄H₇. These products are the primary sources for CH₂O generation. The skeletal mechanism of toluene reference fuel (TRF) is based on the existing semi-detailed TRF mechanism developed by Andrae. The toluene and DIB sub-mechanism is developed using reaction path and sensitivity analyses. od agreements are achieved with the experimental ignition delays observed in a shock tube and an HCCI engine. The present reduced model has reliable performance for HCCI combustion simulations.
- Reaction mechanism,
- Gasoline surrogate,
- Ignition delay time,
- Reaction path,
- Homogeneous charge compression ignition
1. [1]
  
  (1) Yao, M.; Zheng, Z.; Liu, H. Prog. Energ. Combust. 2009, 35, 398. doi: 10.1016/j.pecs.2009.05.001
2. [2]
  (2) Westbrook, C. K. Proc. Combust. Inst. 2000, 28, 1563. doi: 10.1016/S0082-0784(00)80554-8
3. [3]
  (3) Cancino, L.R.; Fikri, M.; Oliveira, A; Schulz, C. Proc. Combust. Inst. 2009, 32 (1), 501. doi: 10.1016/j.proci.2008.06.180
4. [4]
  (4) Galmiche, B.; Halter, F.; Foucher, F. Combust. Flame 2012, 159 (11), 3286. doi: 10.1016/j.combustflame.2012.06.008
5. [5]
  (5) Curran, H. J.; Pitz, W. J.; Westbrook, C. K. Combust. Flame 1998, 114, 149. doi: 10.1016/S0010-2180(97)00282-4
6. [6]
  (6) Tanaka, S.; Ayala, F.; Keck, J. C. Combust. Flame 2003, 133 (4), 467. doi: 10.1016/S0010-2180(03)00057-9
7. [7]
  (7) Tsurushima, T. Proc. Combust. Inst. 2009, 32, 2835. doi: 10.1016/j.proci.2008.06.018
8. [8]
  (8) Pitz, W. J.; Cernansky, N.; Dryer, F. L. SAE Tech. Pap. Ser. 2007, 2007-01-0175.
9. [9]
  (9) Chaos, M.; Zhao, Z.; Kazakov, A. A PRF+Toluene Surrogate Fuel Model for Simulating Gasoline Kinetics. In 5th U.S. Combustion Meeting, March 25-28, 2007; University of California: San Die , California, Paper # E26.
10. [10]
  (10) Sakai, Y.; Miyoshi, A.; Koshi, M. Proc. Combust. Inst. 2009, 32, 411. doi: 10.1016/j.proci.2008.06.154
11. [11]
  (11) Andrae, J. C; Björnbom, P.; Cracknell, R. F.; Kalghatgi, G. T. Combust. Flame 2007, 149, 2. doi: 10.1016/j.combustflame.2006.12.014
12. [12]
  (12) Andrae, J. C.; Brinck, T.; Kalghatgi, G. T. Combust. Flame 2008, 155, 696. doi: 10.1016/j.combustflame.2008.05.010
13. [13]
  (13) Andrae, J. C. Fuel 2013, 107, 740. doi: 10.1016/j.fuel.2013.01.070
14. [14]
  (14) Pitz, W. J.; Seiser, R.; Bozzelli, J.W.; Seshadri, K.; Chen, C. J.; Costa, D.; Fournet, R.; Billaud, F.; Battin-Leclerc, F.; Weatbrook, C. K. Chemical Kinetic Study of Toluene Oxidation. In 29th International Symposium on Combustion, Hokkaido University, Sapporo, Japan, July 21-26, 2002; Elsevier: New York, 2002, UCRL-JC-125890.
15. [15]
  (15) Lee, K.; Kim, Y.; Min, K. Combust. Theor. Model. 2010, 15, 107. doi: 10.1080/13647830.2010.528037
16. [16]
  (16) Zhang, Q. F.; Zheng, Z. L.; He, Z.W.; Wang, Y. Acta Phys. -Chim. Sin. 2011, 27, 530. [张庆峰, 郑朝蕾, 何祖威, 王迎. 物理化学学报, 2011, 27, 530.] doi: 10.3866/PKU.WHXB20110334
17. [17]
  (17) Machrafi, H.; Cavadias, S. Combust. Flame 2008, 155, 557. doi: 10.1016/j.combustflame.2008.04.022
18. [18]
  (18) Gauthier, B. M.; Davidson, D. F.; Hanson, R. K. Combust. Flame 2004, 139, 300. doi: 10.1016/j.combustflame.2004.08.015
19. [19]
  (19) Andrae, J. C. Fuel 2008, 87, 2013. doi: 10.1016/j.fuel.2007.09.010
20. [20]
  (20) Andrae, J. C.; Head, R. A. Combust. Flame 2009, 156, 842. doi: 10.1016/j.combustflame.2008.10.002
21. [21]
  (21) Cancino, L. R.; Fikri, M.; Oliveira, A. Fuel 2011, 9, 1238.
22. [22]
  (22) Wang, Y.; Yao, M.; Zheng, Z. Fuel 2013, 113, 347. doi: 10.1016/j.fuel.2013.05.076
23. [23]
  (23) Zhong, B.; Zheng, D. Fuel 2014, 128, 458. doi: 10.1016/j.fuel.2014.03.044
24. [24]
  (24) Metcalfe, W. K.; Pitz, W. J.; Curran, H. J. Proc. Combust. Inst. 2007, 31, 377. doi: 10.1016/j.proci.2006.07.207
25. [25]
  (25) Fikri, M.; Herzler, J.; Starke, R.; Schulz, C.; Roth, P.; Kalghatgi, G. T. Combust. Flame 2008, 152, 276. doi: 10.1016/j.combustflame.2007.07.010
26. [26]
  (26) Zheng, Z.; Yao, M. Fuel 2009, 88, 354. doi: 10.1016/j.fuel.2008.09.002
27. [27]
  (27) Machrafi, H. Energ. Convers. Manag. 2008, 49, 2956. doi: 10.1016/j.enconman.2008.06.016
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沈阳化工大学材料科学与工程学院沈阳 110142