正十四烷低温点火及燃烧机理的构建和简化

推进技术 ›› 2017, Vol. 38 ›› Issue (1): 119-124.

正十四烷低温点火及燃烧机理的构建和简化

刘建文¹,姚通²,钟北京²,熊生伟¹,刘凤君¹

北京动力机械研究所高超声速冲压发动机技术重点实验室，北京 100074,清华大学航天航空学院，北京 100084,清华大学航天航空学院，北京 100084,北京动力机械研究所高超声速冲压发动机技术重点实验室，北京 100074,北京动力机械研究所高超声速冲压发动机技术重点实验室，北京 100074

发布日期:2021-08-15
作者简介:刘建文，男，硕士，高级工程师，研究领域为燃烧流场模拟。
基金资助:
国家自然科学基金(91441113)。

Development and Reduction of n-Tetradecane Mechanism for Low Temperature Ignition and Combustion

Seiene and Technology on Seramjet Laboratory，Beijing Power Machinery Institute，Beijing 100074，China,School of Aerospace，Tsinghua University，Beijing 100084，China,School of Aerospace，Tsinghua University，Beijing 100084，China,Seiene and Technology on Seramjet Laboratory，Beijing Power Machinery Institute，Beijing 100074，China and Seiene and Technology on Seramjet Laboratory，Beijing Power Machinery Institute，Beijing 100074，China

Published:2021-08-15

摘要/Abstract

摘要： 为了开展燃烧流场数值模拟，构建了包含71个组分391个反应方程的正十四烷低温点火及燃烧骨架反应动力学机理(C14_SK71)；采用计算奇异摄动法(CSP)和准稳态假设法(QSSA)对骨架机理进行简化，得到包含44个组分40个反应方程的总包简化机理(C14_Red44)；通过实验测得的点火延迟时间、火焰传播速度以及射流搅拌反应器(JSR)组分浓度数据对机理进行了计算和验证。结果表明:该十四烷燃烧机理能够比较准确地预测温度700K～1350K内点火延迟数据，再现中低温条件下的负温度效应(NTC)；较好地模拟了当量比0.7～1.4内的正十四烷/空气预混气的层流火焰传播速度，以及温度650K～1050K内正十四烷氧化过程中的组分分布。与现有的正十四烷氧化反应机理相比，该骨架机理和总包简化机理规模较小，为进一步开展燃烧流场数值模拟提供了可用的反应机理模型。

关键词: 正十四烷；骨架机理；简化机理；点火延迟时间；层流火焰传播速度

Abstract: In order to carry out combustion flow field simulation，a new skeletal mechanism for n-tetradecane(C14_SK71) containing 71 species and 371 reactions was constructed to describe low temperature ignition and combustion process. Through Computational Singular Perturbation (CSP) and Quasi Steady State Approximation (QSSA) reduction，a reduced mechanism (C14_Red44) consisting of 44 species and 40 reactions was obtained for this skeletal mechanism. The experimental ignition delay time，laminar flame speed and species profiles in Jet-Stirred Reactor (JSR) were simulated for skeletal and reduced mechanisms. It is demonstrated that the skeletal and reduced mechanisms were able to predict ignition delay time under temperature of 700K～1350K and reproduce the Negative Temperature Coefficient (NTC) in low to immediate temperature ranges.The laminar flame speed of premixed n-tetradecane/air with equivalence 0.7～1.4，and species profiles in JSR oxidation under temperature 650K～1050K were well simulated. Compared with the current detailed mechanisms in literature，the newly developed skeletal and reduced mechanisms are more compact and can be more easily applied into combustion flowfield simulations.

Key words: N-tetradecane；Skeletal mechanism；Reduced mechanism；Ignition delay time；Laminar flame speed

刘建文,姚通,钟北京,熊生伟,刘凤君. 正十四烷低温点火及燃烧机理的构建和简化[J]. 推进技术, 2017, 38(1): 119-124.

LIU Jian-wen¹,YAO Tong²,ZHONG Bei-jing²,XIONG Sheng-wei¹,LIU Feng-jun¹. Development and Reduction of n-Tetradecane Mechanism for Low Temperature Ignition and Combustion[J]. Journal of Propulsion Technology, 2017, 38(1): 119-124.

参考文献

[1] Dagaut P, Cathonnet M. The Ignition, Oxidation, and Combustion of Kerosene: A Review of Experimental and Kinetic Modeling[J]. Progress in Energy and Combustion Science, 2006, 32(1): 48-92.
[2] Pitz W J, Mueller C J. Recent progress in the Development of Diesel Surrogate Fuels[J]. Progress in Energy and Combustion Science, 2011, 37(3): 330-350.
[3] Shen H S, Steinberg J, Vanderover J, et al. A Shock Tube Study of the Ignition of n-Heptane, n-Decane, n-Dodecane, and n-Tetradecane at Elevated Pressures[J]. Energy & Fuels, 2009. 23(5): 2482-2489.
[4] Li B, Liu N, Zhao R, et al. Flame Propagation of Mixtures of Air with High Molecular Weight Neat Hydrocarbons and Practical Jet and Diesel Fuels[J]. Proceedings of the Combustion Institute, 2013, 34(1): 727-733.
[5] Mzé-Ahmed A, Dagaut P, Dayma G, et al. Experimental Study of the Oxidation of n-Tetradecane in a Jet-Stirred Reactor (JSR) and Detailed Chemical Kinetic Modeling[J]. Combustion Science and Technology, 2014, 186(4-5): 594-606.
[6] Westbrook C K, Pitz W J, Herbinet O, et al. A Comprehensive Detailed Chemical Kinetic Reaction Mechanism for Combustion of n-Alkane Hydrocarbons From n-Octane to n-Hexadecane[J]. Combustion and Flame, 2009, 156(1): 181-199.
[7] Vajda S, Valko P, Turányi T. Principal Component Analysis of Kinetic Models[J]. International Journal of Chemical Kinetics, 1985, 17(1): 55-81.
[8] Turányi T. Sensitivity Analysis of Complex Kinetic Systems, Tools and Applications[J]. Journal of Mathematical Chemistry, 1990, 5(3): 203-248.
[9] Lu T, Law C K. A Directed Relation Graph Method for Mechanism Reduction[J]. Proceedings of the Combustion Institute, 2005, 30(1): 1333-1341.
[10] Pepiot-Desjardins P, Pitsch H. An Efficient Error-Propagation-Based Reduction Method for Large Chemical Kinetic Mechanisms[J]. Combustion and Flame, 2008, 154(1-2): 67-81.
[11] Sun W, Chen Z, Gou X, et al. A Path Flux Analysis Method for the Reduction of Detailed Chemical Kinetic Mechanisms[J]. Combustion and Flame, 2010, 157(7): 1298-1307.
[12] 文斐, 钟北京. 基于特征值分析的骨架机理获取方法[J]. 物理化学学报, 2012. 28(6): 1306-1312.
[13] Goussis D A, Lam S H. A Study of Homogeneous Methanol Oxidation Kinetics Using CSP[J]. Symposium (International) on Combustion, 1992, 24(1): 113-120.
[14] Montgomery C J, Cannon S M, Mawid M A, et al. Reduced Chemical Kinetic Mechanisms for JP-8 Combustion[R]. AIAA 2002-0336.
[15] Maas U, Pope S B. Simplifying Chemical Kinetics: Intrinsic Low-Dimensional Manifolds in Composition Space[J]. Combustion and Flame, 1992, 88(3-4): 239-264.
[16] You X, Egolfopoulos F N, Wang H. Detailed and Simplified Kinetic Models of n-Dodecane Oxidation: The Role of Fuel Cracking in Aliphatic Hydrocarbon Combustion[J]. Proceedings of the Combustion Institute, 2009, 32(1): 403-410.
[17] Yao T, Pei Y, Zhong B J, et al. A Hybrid Mechanism for n-Dodecane Combustion with Optimized Low-Temperature Chemistry[C]. Cincinnati: 9th U.S.National Combustion Meeting, 2015.
[18] Bikas G, Peters N. Kinetic Modelling of n-Decane Combustion and Autoignition: Modeling Combustion of n-Decanem[J]. Combustion and Flame, 2001, 126(1-2): 1456-1475.
[19] 文斐, 姚通, 钟北京. 奇异摄动法简化化学反应机理 [J]. 工程热物理学报, 2012, 33(4): 39-44.
[20] 刘建文, 熊生伟, 马雪松, 基于DRG和QSSA方法的煤油详细燃烧机理简化[J]. 推进技术, 2011, 32(4): 525-529. (LIU Jian-wen, XIONG Sheng-wei, MA Xue-song. Reduction of Kerosene Detailed Combustion Reaction Mechanism Based on DRG and QSSA[J]. Journal of Propulsion Technology, 2011, 32(4): 525-529.)
[21] Vasu S S, Davidson, D F, Hong Z, et al. N-Dodecane Oxidation at High-Pressures: Measurements of Ignition Delay Times and OH Concentration Time-Histories[J]. Proceedings of the Combustion Institute, 2009, 32(1): 173-180. 　　　　　　　　　　　　　*　收稿日期:2015-06-04；修订日期:2015-08-12。基金项目:国家自然科学基金(91441113)。作者简介:刘建文,男,硕士,高级工程师,研究领域为燃烧流场模拟。E-mail: liujw512@163.com(编辑:梅瑛)