基于不同燃料PAH特性改进的适用于多组分燃料的碳烟模型

引用本文: 庞斌, 解茂昭, 贾明, 刘耀东. 基于不同燃料PAH特性改进的适用于多组分燃料的碳烟模型[J]. 物理化学学报, 2013, 29(12): 2523-2533. doi: 10.3866/PKU.WHXB201310161 shu

Citation: PANG Bin, XIE Mao-Zhao, JIA Ming, LIU Yao-Dong. Improved Phenomenological Soot Model for Multicomponent Fuel Based on Variations in PAH Characteristics with Fuel Type[J]. Acta Physico-Chimica Sinica, 2013, 29(12): 2523-2533. doi: 10.3866/PKU.WHXB201310161 shu

基于不同燃料PAH特性改进的适用于多组分燃料的碳烟模型

基金项目:
国家自然科学基金(51176020, 51176021) (51176020, 51176021)

美国通用汽车全球研发中心(GM024705-NV584)资助项目 (GM024705-NV584)

摘要:

将多环芳烃(PAH)骨架模型与甲苯参比燃料(TRF)氧化模型耦合, 构建了一个新的TRF-PAH骨架模型.以新的TRF-PAH 骨架模型作为燃料燃烧的气相化学反应模型, 基于不同分子结构的燃料氧化过程中生成PAHs和碳烟的路径也不同的研究结论, 本文进一步优化了以PAHs为碳烟前驱生成物的碳烟半经验模型. 通过甲苯在流动反应器、搅拌反应器和激波管中的氧化/裂解实验验证发现, 新的TRF-PAH骨架模型可以相对准确地预测小分子PAHs和重要中间组分的浓度. 通过对比烷烃和芳香烃氧化过程中生成苯的计算值可以发现,燃料的分子结构对PAHs的生成路径影响很大. 另外, 改进后的碳烟模型利用甲苯、正庚烷/甲苯及异辛烷/甲苯混合物为燃料的激波管中裂解和氧化实验验证, 结果表明在较宽的工况内碳烟模拟值与实验值吻合较好. 最后, 将新的碳烟模型应用于KIVA程序, 模拟以TRF20为燃料的柴油机碳烟排放, 结果表明TRF-PAH骨架模型和碳烟模型能重现缸内燃烧和排放的特性.

关键词:

English

Improved Phenomenological Soot Model for Multicomponent Fuel Based on Variations in PAH Characteristics with Fuel Type

1.
Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian 116023, Liaoning Province, P. R. China
Received Date: 11 July 2013
Available Online: 28 November 2013
Fund Project:
国家自然科学基金(51176020, 51176021)

美国通用汽车全球研发中心(GM024705-NV584)资助项目

Abstract:

Integration of a skeletal polycyclic aromatic hydrocarbon (PAH) model with a toluene reference fuel (TRF) oxidation model was used to develop a skeletal TRF-PAH model. A phenomenological soot model, coupled with the new TRF-PAH model, was modified based on the experimental observation that fuels with different molecular structures produce PAHs and soot in different ways. The new TRF-PAH model was validated against experimental data for the relevant PAHs for the oxidation/pyrolysis of toluene in a jet-stirred reactor, flow reactor, and shock tube. The results show that the PAH model can reproduce the experimental data for the major species concentrations. The predicted benzene concentration in the oxidation of alkanes and aromatic hydrocarbons indicates that the molecular structure of the fuel significantly affects the PAH formation pathway. The improved soot model was validated against measured soot yields from the pyrolysis of toluene, toluene/n-heptane mixtures, and toluene/isooctane mixtures in a shock tube, as well as toluene oxidation. The results show that the predicted soot yields obtained using the new soot model are in reasonable agreement with the experimental data over a wide operating range. Finally, the soot model was used to predict the soot emissions from a diesel engine fueled with TRF20. The results indicate that the TRF-PAH combustion model and the new soot model can reproduce the combustion and emission characteristics well.

Key words:

1. [1]
  
  (1) Ra, Y.; Reitz, R. D. Combust. Flame 2008, 155 (4), 713. doi: 10.1016/j.combustflame.2008.05.002
  (1) Ra, Y.; Reitz, R. D. Combust. Flame 2008, 155 (4), 713. doi: 10.1016/j.combustflame.2008.05.002
2. [2]
  (2) Ra, Y.; Reitz, R. D. Combust. Flame 2011, 158 (1), 69. doi: 10.1016/j.combustflame.2010.07.019(2) Ra, Y.; Reitz, R. D. Combust. Flame 2011, 158 (1), 69. doi: 10.1016/j.combustflame.2010.07.019
3. [3]
  (3) Andrae, J. C.; Björnbom, P.; Cracknell, R.; Kalghatgi, G.Combust. Flame 2007, 149 (1), 2.(3) Andrae, J. C.; Björnbom, P.; Cracknell, R.; Kalghatgi, G.Combust. Flame 2007, 149 (1), 2.
4. [4]
  (4) Mehl, M.; Pitz,W. J.;Westbrook, C. K.; Curran, H. J. Proc. Combust. Inst. 2011, 33 (1), 193.(4) Mehl, M.; Pitz,W. J.;Westbrook, C. K.; Curran, H. J. Proc. Combust. Inst. 2011, 33 (1), 193.
5. [5]
  (5) Machrafi, H.; Cavadias, S. Combust. Flame 2008, 155 (4),557. doi: 10.1016/j.combustflame.2008.04.022(5) Machrafi, H.; Cavadias, S. Combust. Flame 2008, 155 (4),557. doi: 10.1016/j.combustflame.2008.04.022
6. [6]
  (6) Zheng, D.; Zhong, B. J. Acta Phys. -Chim. Sin. 2012, 28 (9),2029. [郑东, 钟北京. 物理化学学报, 2012, 28 (9), 2029.]doi: 10.3866/PKU.WHXB201207042(6) Zheng, D.; Zhong, B. J. Acta Phys. -Chim. Sin. 2012, 28 (9),2029. [郑东, 钟北京. 物理化学学报, 2012, 28 (9), 2029.]doi: 10.3866/PKU.WHXB201207042
7. [7]
  (7) Alexiou, A.;Williams, A. Fuel 1995, 74 (2), 153. doi: 10.1016/0016-2361(95)92648-P(7) Alexiou, A.;Williams, A. Fuel 1995, 74 (2), 153. doi: 10.1016/0016-2361(95)92648-P
8. [8]
  (8) Agafonov, G.; Naydenova, I.; Vlasov, P.;Warnatz, J. Proc. Combust. Inst. 2007, 31 (1), 575. doi: 10.1016/j.proci.2006.07.191(8) Agafonov, G.; Naydenova, I.; Vlasov, P.;Warnatz, J. Proc. Combust. Inst. 2007, 31 (1), 575. doi: 10.1016/j.proci.2006.07.191
9. [9]
  (9) Choi, B. C.; Choi, S. K.; Chung, S. H. Proc. Combust. Inst.2011, 33 (1), 609. doi: 10.1016/j.proci.2010.06.067(9) Choi, B. C.; Choi, S. K.; Chung, S. H. Proc. Combust. Inst.2011, 33 (1), 609. doi: 10.1016/j.proci.2010.06.067
10. [10]
  (10) Song, J. O.; Song, C. L.; Tao, Y.; Lv, G.; Dong, S. R. Combust. Flame 2011, 158 (3), 446. doi: 10.1016/j.combustflame.2010.09.017(10) Song, J. O.; Song, C. L.; Tao, Y.; Lv, G.; Dong, S. R. Combust. Flame 2011, 158 (3), 446. doi: 10.1016/j.combustflame.2010.09.017
11. [11]
  (11) Chen,W. M.; Shuai, S. J.;Wang, J. X. Fuel 2009, 88 (10),1927. doi: 10.1016/j.fuel.2009.03.039(11) Chen,W. M.; Shuai, S. J.;Wang, J. X. Fuel 2009, 88 (10),1927. doi: 10.1016/j.fuel.2009.03.039
12. [12]
  (12) Agafonov, G.; Smirnov, V.; Vlasov, P. Proc. Combust. Inst.2011, 33 (1), 625. doi: 10.1016/j.proci.2010.07.089(12) Agafonov, G.; Smirnov, V.; Vlasov, P. Proc. Combust. Inst.2011, 33 (1), 625. doi: 10.1016/j.proci.2010.07.089
13. [13]
  (13) Blacha, T.; Di Domenico, M.; Gerlinger, P.; Aigner, M.Combust. Flame 2012, 159 (1), 181. doi: 10.1016/j.combustflame.2011.07.006(13) Blacha, T.; Di Domenico, M.; Gerlinger, P.; Aigner, M.Combust. Flame 2012, 159 (1), 181. doi: 10.1016/j.combustflame.2011.07.006
14. [14]
  (14) Tao, F.; lovitchev, V. I.; Chomiak, J. Combust. Flame 2004,136 (3), 270. doi: 10.1016/j.combustflame.2003.11.001(14) Tao, F.; lovitchev, V. I.; Chomiak, J. Combust. Flame 2004,136 (3), 270. doi: 10.1016/j.combustflame.2003.11.001
15. [15]
  (15) Tao, F.; Foster, D. E.; Reitz, R. D. SAE Tech. Pap. Ser. 2006,2006-01-0196.(15) Tao, F.; Foster, D. E.; Reitz, R. D. SAE Tech. Pap. Ser. 2006,2006-01-0196.
16. [16]
  (16) Vishwanathan, G.; Reitz, R. D. SAE Tech. Pap. Ser. 2008, 2008-01-1331.(16) Vishwanathan, G.; Reitz, R. D. SAE Tech. Pap. Ser. 2008, 2008-01-1331.
17. [17]
  (17) Jia, M.; Peng, Z. J.; Xie, M. Z. Proc. Inst. Mech. Eng. Part: D J. Automob. Eng. 2009, 223 (3), 395. doi: 10.1243/09544070JAUTO993(17) Jia, M.; Peng, Z. J.; Xie, M. Z. Proc. Inst. Mech. Eng. Part: D J. Automob. Eng. 2009, 223 (3), 395. doi: 10.1243/09544070JAUTO993
18. [18]
  (18) Kaminaga, T.; Kusaka, J.; Ishii, Y. Int. J. Engine. Rer. 2008, 9 (4), 283. doi: 10.1243/14680874JER00908(18) Kaminaga, T.; Kusaka, J.; Ishii, Y. Int. J. Engine. Rer. 2008, 9 (4), 283. doi: 10.1243/14680874JER00908
19. [19]
  (19) Vishwanathan, G. Development and Application of a PracticalSoot Modeling Approach for Low Temperature DieselCombustion. Ph. D. Dissertation, The University ofWisconsin:Madison, 2012.(19) Vishwanathan, G. Development and Application of a PracticalSoot Modeling Approach for Low Temperature DieselCombustion. Ph. D. Dissertation, The University ofWisconsin:Madison, 2012.
20. [20]
  (20) Wang, F.; Zheng, Z.; He, Z. Energy & Fuels 2012, 26 (3), 1612.doi: 10.1021/ef201937k(20) Wang, F.; Zheng, Z.; He, Z. Energy & Fuels 2012, 26 (3), 1612.doi: 10.1021/ef201937k
21. [21]
  (21) Zheng, D.; Zhang, Y. P.; Zhong, B. J. Acta Phys. -Chim. Sin.2013, 29 (6), 1154. [郑东, 张云鹏, 钟北京. 物理化学学报,2013, 29 (6), 1154.] doi: 10.3866/PKU.WHXB201303201(21) Zheng, D.; Zhang, Y. P.; Zhong, B. J. Acta Phys. -Chim. Sin.2013, 29 (6), 1154. [郑东, 张云鹏, 钟北京. 物理化学学报,2013, 29 (6), 1154.] doi: 10.3866/PKU.WHXB201303201
22. [22]
  (22) Wang, H.; Reitz, R. D.; Yao, M.; Yang, B.; Jiao, Q.; Qiu, L.Combust. Flame 2012, 163 (3), 504.(22) Wang, H.; Reitz, R. D.; Yao, M.; Yang, B.; Jiao, Q.; Qiu, L.Combust. Flame 2012, 163 (3), 504.
23. [23]
  (23) Reitz, R. D.;Wang, H.; Jiao, Q.; Yao, M.; Yang, B.; Qiu, L. Int. J. Engine. Rer. 2013, 14 (5), 434. doi: 10.1177/1468087412471056(23) Reitz, R. D.;Wang, H.; Jiao, Q.; Yao, M.; Yang, B.; Qiu, L. Int. J. Engine. Rer. 2013, 14 (5), 434. doi: 10.1177/1468087412471056
24. [24]
  (24) Liu, Y. D.; Jia, M.; Xie, M. Z.; Pang, B. Energy & Fuels 2013,27 (8), 4899. doi: 10.1021/ef4009955(24) Liu, Y. D.; Jia, M.; Xie, M. Z.; Pang, B. Energy & Fuels 2013,27 (8), 4899. doi: 10.1021/ef4009955
25. [25]
  (25) Pang, B.; Xie, M. Z.; Jia, M.; Liu, Y. D. Energy Fuels 2013, 27 (3), 1699. doi: 10.1021/ef400033f(25) Pang, B.; Xie, M. Z.; Jia, M.; Liu, Y. D. Energy Fuels 2013, 27 (3), 1699. doi: 10.1021/ef400033f
26. [26]
  (26) Pang, K. M.; Ng, H. K.; Gan, S. Fuel 2011, 90 (9), 2902. doi: 10.1016/j.fuel.2011.04.027(26) Pang, K. M.; Ng, H. K.; Gan, S. Fuel 2011, 90 (9), 2902. doi: 10.1016/j.fuel.2011.04.027
27. [27]
  (27) Shen, H. P. S.; Vanderover, J.; Oehlschlaeger, M. A. Proc. Combust. Inst. 2009, 32 (1), 165. doi: 10.1016/j.proci.2008.05.004(27) Shen, H. P. S.; Vanderover, J.; Oehlschlaeger, M. A. Proc. Combust. Inst. 2009, 32 (1), 165. doi: 10.1016/j.proci.2008.05.004
28. [28]
  (28) Davis, S.;Wang, H.; Breinsky, K.; Law, C. Symposium (International) on Combustion 1996, 26 (1), 1025.(28) Davis, S.;Wang, H.; Breinsky, K.; Law, C. Symposium (International) on Combustion 1996, 26 (1), 1025.
29. [29]
  (29) Klotz, S. D.; Brezinsky, K.; Glassman, I. Symposium (International) on Combustion 1998, 27 (1), 337.(29) Klotz, S. D.; Brezinsky, K.; Glassman, I. Symposium (International) on Combustion 1998, 27 (1), 337.
30. [30]
  (30) Dagaut, P.; Pengloan, G.; Ristori, A. Phys. Chem. Chem. Phys.2002, 4 (10), 1846. doi: 10.1039/b110282f(30) Dagaut, P.; Pengloan, G.; Ristori, A. Phys. Chem. Chem. Phys.2002, 4 (10), 1846. doi: 10.1039/b110282f
31. [31]
  (31) Zhang, H. R.; Eddings, E. G.; Sarofim, A. F.;Westbrook, C. K.Proc. Combust. Inst. 2009, 32 (1), 377. doi: 10.1016/j.proci.2008.06.011(31) Zhang, H. R.; Eddings, E. G.; Sarofim, A. F.;Westbrook, C. K.Proc. Combust. Inst. 2009, 32 (1), 377. doi: 10.1016/j.proci.2008.06.011
32. [32]
  (32) Colket, M.; Seery, D. Symposium (International) on Combustion1994, 25 (1), 883.(32) Colket, M.; Seery, D. Symposium (International) on Combustion1994, 25 (1), 883.
33. [33]
  (33) Marchal, C.; Delfau, J.; Vovelle, C.; Moreac, G.;Mounaimrousselle, C.; Mauss, F. Proc. Combust. Inst. 2009, 32 (1), 753. doi: 10.1016/j.proci.2008.06.115(33) Marchal, C.; Delfau, J.; Vovelle, C.; Moreac, G.;Mounaimrousselle, C.; Mauss, F. Proc. Combust. Inst. 2009, 32 (1), 753. doi: 10.1016/j.proci.2008.06.115
34. [34]
  (34) Raj, A.; Prada, I. D. C.; Amer, A. A.; Chung, S. H. Combust. Flame 2011, 159 (2), 500.(34) Raj, A.; Prada, I. D. C.; Amer, A. A.; Chung, S. H. Combust. Flame 2011, 159 (2), 500.
35. [35]
  (35) Sivaramakrishnan, R.; Tranter, R. S.; Brezinsky, K. J. Phys. Chem. A 2006, 110 (30), 9388. doi: 10.1021/jp060820j(35) Sivaramakrishnan, R.; Tranter, R. S.; Brezinsky, K. J. Phys. Chem. A 2006, 110 (30), 9388. doi: 10.1021/jp060820j
36. [36]
  (36) Detilleux, V.; Vandooren, J. Proc. Combust. Inst. 2011, 33 (1),217. doi: 10.1016/j.proci.2010.06.151(36) Detilleux, V.; Vandooren, J. Proc. Combust. Inst. 2011, 33 (1),217. doi: 10.1016/j.proci.2010.06.151
37. [37]
  (37) Zhang, H. R.; Eddings, E. G.; Sarofim, A. F. Energy Fuels 2007,21 (2), 677. doi: 10.1021/ef060195h(37) Zhang, H. R.; Eddings, E. G.; Sarofim, A. F. Energy Fuels 2007,21 (2), 677. doi: 10.1021/ef060195h
38. [38]
  (38) Zhang, H. R.; Eddings, E. G.; Sarofim, A. F. Energy Fuels 2008,22 (2), 945. doi: 10.1021/ef700526n(38) Zhang, H. R.; Eddings, E. G.; Sarofim, A. F. Energy Fuels 2008,22 (2), 945. doi: 10.1021/ef700526n
39. [39]
  (39) Fenimore, C. P.; Jones, G.W. J. Phys. Chem. 1967, 71 (3), 593.doi: 10.1021/j100862a021(39) Fenimore, C. P.; Jones, G.W. J. Phys. Chem. 1967, 71 (3), 593.doi: 10.1021/j100862a021
40. [40]
  (40) Neoh, K.; Howard, J.; Sarofim, A. Symposium (International) on Combustion 1985, 20 (1), 951.(40) Neoh, K.; Howard, J.; Sarofim, A. Symposium (International) on Combustion 1985, 20 (1), 951.
41. [41]
  (41) Kellerer, H.; Müller, A.; Bauer, H. J.;Wittig, S. Combust. Sci. Technol. 1996, 113 (1), 67. doi: 10.1080/00102209608935488(41) Kellerer, H.; Müller, A.; Bauer, H. J.;Wittig, S. Combust. Sci. Technol. 1996, 113 (1), 67. doi: 10.1080/00102209608935488
42. [42]
  (42) Alexiou, A.;Williams, A. Combust. Flame 1996, 104 (1), 51.(42) Alexiou, A.;Williams, A. Combust. Flame 1996, 104 (1), 51.
43. [43]
  (43) Sakai, Y.; Miyoshi, A.; Koshi, M.; Pitz,W. J. Proc. Combust. Inst. 2009, 32 (1), 411. doi: 10.1016/j.proci.2008.06.154(43) Sakai, Y.; Miyoshi, A.; Koshi, M.; Pitz,W. J. Proc. Combust. Inst. 2009, 32 (1), 411. doi: 10.1016/j.proci.2008.06.154
44. [44]
  (44) Andrae, J. C.; Brinck, T.; Kalghatgi, G. Combustion and Flame2008, 155 (4), 696. doi: 10.1016/j.combustflame.2008.05.010(44) Andrae, J. C.; Brinck, T.; Kalghatgi, G. Combustion and Flame2008, 155 (4), 696. doi: 10.1016/j.combustflame.2008.05.010
45. [45]
  (45) Bakali, A.; Delfau, J. L.; Vovelle, C. Combust. Sci. Technol.1998, 140 (1-6), 69. doi: 10.1080/00102209808915768(45) Bakali, A.; Delfau, J. L.; Vovelle, C. Combust. Sci. Technol.1998, 140 (1-6), 69. doi: 10.1080/00102209808915768
46. [46]
  (46) Frenklach, M.; Yuan, T.; Ramachandra, M. Energy Fuels 1988,2 (4), 462. doi: 10.1021/ef00010a013(46) Frenklach, M.; Yuan, T.; Ramachandra, M. Energy Fuels 1988,2 (4), 462. doi: 10.1021/ef00010a013
47. [47]
  (47) Hippler, H.; Reihs, C.; Troe, J. Symposium (International) on Combustion 1991, 23 (1), 37.(47) Hippler, H.; Reihs, C.; Troe, J. Symposium (International) on Combustion 1991, 23 (1), 37.
48. [48]
  (48) Luo, J.; Yao, M. F.; Liu, H. F.; Yang, B. B. Fuel 2012, 97, 621.doi: 10.1016/j.fuel.2012.02.057
  (48) Luo, J.; Yao, M. F.; Liu, H. F.; Yang, B. B. Fuel 2012, 97, 621.doi: 10.1016/j.fuel.2012.02.057

扫一扫看文章

计量

PDF下载量: 722
文章访问数: 1096
HTML全文浏览量: 24

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

基于不同燃料PAH特性改进的适用于多组分燃料的碳烟模型

English

Improved Phenomenological Soot Model for Multicomponent Fuel Based on Variations in PAH Characteristics with Fuel Type

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

计量

通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

基于不同燃料PAH特性改进的适用于多组分燃料的碳烟模型

English

Improved Phenomenological Soot Model for Multicomponent Fuel Based on Variations in PAH Characteristics with Fuel Type

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

计量

文章相关

通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs