正癸烷着火及燃烧的化学动力学模型

doi:10.3866/PKU.WHXB201211271

物理化学学报 >> 2013, Vol. 29 >> Issue (02): 237-244.doi: 10.3866/PKU.WHXB201211271

正癸烷着火及燃烧的化学动力学模型

姚通, 钟北京

清华大学航天航空学院, 北京 100084

收稿日期:2012-09-20 修回日期:2012-11-27 发布日期:2013-01-14
通讯作者: 钟北京 E-mail:zhongbj@tsinghua.edu.cn
基金资助:
国家自然科学基金(51036004)资助项目

Chemical Kinetic Model for Auto-Ignition and Combustion of n-Decane

YAO Tong, ZHONG Bei-Jing

School of Aerospace, Tsinghua University, Beijing 100084, P. R. China

Received:2012-09-20 Revised:2012-11-27 Published:2013-01-14
Supported by:
The project was supported by the National Natural Science Foundation of China (51036004).

摘要/Abstract

摘要：

构建了一个包含46组分和167反应的描述正癸烷着火与燃烧过程的化学反应动力学机理模型, 该机理是在通过路径分析和灵敏度分析对Peters 机理(118组分和527反应)进行较大程度简化的基础上, 对低温着火和火焰传播速度影响较大的部分基元反应进行修正和改进后得到的. 与文献给出的实验结果对比表明, 该机理不仅比现有的机理具有较少的组分数和基元反应数, 而且能够更准确地预测正癸烷低温和高温条件下的着火延迟时间和火焰传播速度. 该机理为进一步实现总包简化机理与计算流体力学(CFD)的耦合计算奠定了基础.

关键词: 正癸烷, 化学动力学, 路径分析, 灵敏度分析, 着火延迟时间, 火焰传播速度

Abstract:

A chemical kinetic model containing 46 species and 167 reactions was developed for the auto-ignition and combustion of n-decane. On the basis of a significant reduction of the mechanism proposed by Peters (118 species and 527 reactions)—where the reduction was achieved using reaction path analysis and a sensitivity analysis—the newly developed mechanism was obtained by correcting and improving some elementary reactions important for auto-ignition at lower temperatures and laminar flame speeds. When compared with experimental results, not only did the mechanism contain fewer species and reactions than other models, it could also predict the auto-ignition delay time at lower and higher temperatures and laminar flame speeds more precisely. The development of this model represents a significant step toward a global model that could be coupled with computational fluid dynamics.

Key words: n-Decane, Chemical kinetics, Reaction path analysis, Sensitivity analysis, Auto-ignition delay time, Laminar flame speed

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姚通, 钟北京. 正癸烷着火及燃烧的化学动力学模型[J]. 物理化学学报, 2013, 29(02): 237-244.

YAO Tong, ZHONG Bei-Jing. Chemical Kinetic Model for Auto-Ignition and Combustion of n-Decane[J]. Acta Phys. -Chim. Sin., 2013, 29(02): 237-244.

链接本文: https://www.whxb.pku.edu.cn/CN/10.3866/PKU.WHXB201211271

https://www.whxb.pku.edu.cn/CN/Y2013/V29/I02/237

参考文献

(1) Dagaut, P.; Cathonnet, M. Prog. Energ. Combust. 2006, 32 (1),48. doi: 10.1016/j.pecs.2005.10.003
(2) Dagaut, P.; Reuillon, M.; Boettner, J. C.; Cathonnet, M.Symposium (International) on Combustion 1994, 25 (1), 919.
(3) Wang, H. R.; Jin, J.;Wang, J. B.; Tan, N. X.; Li, X. Y. Chem. J. Chin. Univ. 2012, 33 (2), 341. [王慧汝, 金捷, 王静波, 谈宁馨, 李象远. 高等学校化学学报, 2012, 33 (2), 341.]
(4) Dagaut, P.; El Bakali, A.; Ristori, A. Fuel 2006, 85 (7–8), 944.
(5) Humer, S.; Frassoldati, A.; Granata, S.; Faravelli, T.; Ranzi, E.;Seiser, R.; Seshadri, K. Proc. Combust. Inst. 2007, 31 (1), 393.doi: 10.1016/j.proci.2006.08.008
(6) Honnet, S.; Seshadri, K.; Niemann, U.; Peters, N. Proc. Combust. Inst. 2009, 32 (1), 485. doi: 10.1016/j.proci.2008.06.218
(7) Strelkova, M. I.; Kirillov, I. A.; Potapkin, B. V.; Safonov, A. A.;Sukhanov, L. P.; Umanskiy, S. Y.; Deminsky, M. A.; Dean, A. J.;Varatharajan, B.; Tentner, A. M. Combust. Sci. Technol. 2008,180 (10-11), 1788. doi: 10.1080/00102200802258379
(8) Mawid, M.; Sekar, B. Development of a Detailed JP-8/Jet-AChemical Kinetic Mechanism for High Pressure Conditions inGas Turbine Combustors. In Combustion and Fuels; ASMETurbo. Expo. Barcelona, Spain, May 8-11, 2007.
(9) Violi, A.; Yan, S.; Eddings, E. G.; Sarofim, A. F.; Granata, S.;Faravelli, T.; Ranzi, E. Combust. Sci. Technol. 2002, 174 (11-12), 399. doi: 10.1080/00102200215080
(10) Colket, M.; Edwards, T.;Williams, S.; Cernansky, N. P.; Miller,D. L.; Egolfopoulos, F.; Lindstedt, P.; Seshadri, K.; Dryer, F. L.;Law, C. K. Development of an Experimental Database and Kinetic Models for Surrogate Jet Fuels, 45th AIAAAerospaceSciences Meeting and Exhibit, Reno, Nevada, January 8-11,2007; Paper No. AIAA 2007-770.
(11) Westbrook, C. K.; Pitz,W. J.; Herbinet, O.; Curran, H. J.; Silke,E. J. Combust. Flame 2009, 156 (1), 181.
(12) Battin-Leclerc, F.; Fournet, R.; Glaude, P.; Judenherc, B.;Warth,V.; Côme, G.; Scacchi, G. Proc. Combust. Inst. 2000, 28 (2),1597. doi: 10.1016/S0082-0784(00)80557-3
(13) Douté, C.; Delfau, J. L.; Vovelle, C. Combust. Sci. Technol.1997, 130 (1-6), 269. doi: 10.1080/00102209708935746
(14) Zeppieri, S. P.; Klotz, S. D.; Dryer, F. L. Proc. Combust. Inst.2000, 28 (2), 1587. doi: 10.1016/S0082-0784(00)80556-1
(15) Zhao, Z.W.; Li, J.; Kazakov, A.; Dryer, F. L.; Zeppieri, S. P.Combust. Sci. Technol. 2005, 177 (1), 89.
(16) Lindstedt, R.; Maurice, L. J. Propul. Power 2000, 16 (2), 187.doi: 10.2514/2.5582
(17) Liu, J.W.; Xiong, S.W.; Ma, X. S.; Li, P.; Li, X. Y. J. Propul. Technol. 2012, 33 (1), 64. [刘建文, 熊生伟, 马雪松, 李萍,李象远. 推进技术, 2012, 33 (1), 64.]
(18) Bikas, G.; Peters, N. Combust. Flame 2001, 126 (1–2), 1456.
(19) Honnet, S.; Seshadri, K.; Peters, N. Surrogate Fuel for Kerosene; http://www.itv.rwth-aachen.de/fileadmin/downloads/.(accessed Oct 27, 2011)
(20) Zhukov, V. P.; Sechenov, V. A.; Starikovskii, A. Y. Combust. Flame 2008, 153(1-2), 130.
(21) Pfahl, U.; Fieweger, K.; Adomeit, G. Proc. Combust. Inst. 1996,26, 781.
(22) Kumar, K.; Sung, C. J. Combust. Flame 2007, 151 (1–2), 209.
(23) You, X.; Egolfopoulos, F. N.;Wang, H. Proc. Combust. Inst.2009, 32 (1), 403. doi: 10.1016/j.proci.2008.06.041
(24) Ranzi, E.; Frassoldati, A.; Granata, S.; Faravelli, T. Ind. Eng. Chem. Res. 2005, 44, 5170.
(25) Nehse, M.;Warnatz, J.; Chevalier, C. Symposium (International) on Combustion 1996, 26, 773. doi: 10.1016/S0082-0784(96)80286-4
(26) Bowman, C. T.; Hanson, R. K.; Davidson, D. F.; et al.GRI-MECH Home Page. http://www.me.berkeley.edu/gri_mech/releases.html (accessed May 20, 2011)
(27) Kee, R. J.; Rupley, F. M.; Miller, J. A.; et al. CHEMKIN Release4.1; Reaction Design: San Diego, CA, 2006.
(28) Ji, C.; Dames, E.;Wang, Y. L.;Wang, H.; Egolfopoulos, F. N.Combust. Flame 2010, 157, 277. doi: 10.1016/j.combustflame.2009.06.011
(29) Kim, H. H.;Won, S. H.; Santner, J.; Chen, Z.; Ju, Y. Proc. Combust. Inst. in Press.

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正癸烷着火及燃烧的化学动力学模型

Chemical Kinetic Model for Auto-Ignition and Combustion of n-Decane

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