天然气简化反应机理构建与验证

宋晨星; 曾文; 陈潇潇; 胡二江; 常亚超; 马宏宇

doi:10.13224/j.cnki.jasp.20220272

天然气简化反应机理构建与验证

doi: 10.13224/j.cnki.jasp.20220272

宋晨星^1,,
曾文^1,*, ,,
陈潇潇¹,
胡二江²,
常亚超³,
马宏宇⁴

1.
沈阳航空航天大学航空发动机学院，沈阳 110136
2.
西安交通大学能源与动力工程学院动力工程多相流国家重点实验室，西安 710049
3.
大连理工大学海洋能源利用与节能教育部重点实验室，辽宁大连 116024
4.
中国航发沈阳发动机研究所，沈阳 110015

基金项目: 国家科技重大专项（2017-Ⅲ-0006-0031)

详细信息

作者简介:
宋晨星（1998-），女，硕士生，主要从事碳氢燃料基础燃烧特性方面的研究。E-mail：1192745184@qq.com

通讯作者:
曾文（1977-），男，教授，博士，主要从事发动机先进燃烧技术方面的研究。E-mail：zengwen928@sohu.com

中图分类号: V231.2；TK401
计量
- 文章访问数: 73
- HTML浏览量: 34
- PDF量: 23
- 被引次数: 0
出版历程
- 收稿日期: 2022-04-29
- 网络出版日期: 2023-09-28

Construction and validation of reduced reaction mechanism of natural gas

1.
School of Aero-engine，Shenyang Aerospace University，Shenyang 110136，China
2.
State Key Laboratory of Multiphase Flow in Power Engineering，School of Energy and Power Engineering，Xi’an Jiaotong University，Xi’an 710049，China
3.
Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, Dalian University of Technology, Dalian Liaoning 116024, China
4.
Shenyang Engine Research Institute，Aero Engine Corporation of China, Shenyang 110015, China

摘要

摘要:
采用6种详细反应机理对多工况条件下天然气的着火延迟时间、层流燃烧速度以及氧化过程中主要组分摩尔分数进行了数值计算，并与相应试验数据进行了对比分析。结果表明：相比于其它五种详细反应机理，Aramco 2.0机理在天然气的着火延迟、层流燃烧以及氧化特性的预测上精度最高。基于Aramco 2.0机理，通过路径敏感性分析、生成速率分析与反应路径分析，形成了天然气（CH₄/C₂H₆/C₃H₈）的初始简化机理（包含21种组分、150个反应）；同时，基于解耦法，耦合初始简化反应机理中的C₁～C₃反应机理、H₂/CO详细反应机理和NOx简化反应机理，构建了天然气的简化反应机理（包含40种组分、189个反应）。通过与相应试验数据的对比发现，该简化反应机理能很好的预测多工况条件下天然气的着火延迟、层流燃烧与氧化特性。
- 天然气 /
- 简化反应机理 /
- 解耦法 /
- 路径敏感性分析 /
- 生成速率分析
Abstract:
The ignition delay time, the laminar combustion speed of natural gas and the main species concentrations in the natural gas oxidation process were simulated by six detailed reaction mechanisms, and also compared with corresponding experimental data. The results showed that, compared with the other five detailed reaction mechanisms, Aramco 2.0 mechanism had the highest accuracy in predicting the ignition delay, laminar combustion and oxidation characteristics of natural gas. Based on Aramco 2.0 mechanism, an initial reduced reaction mechanism (including 21 species and 150 reactions) of natural gas (including CH₄, C₂H₆ and C₃H₈) was formed using the path sensitivity analysis, production rate analysis and reaction path analysis. At the same time, based on decoupling method, through combining the reaction mechanism of C₁−C₃ in the initial reduced reaction mechanism with the detailed reaction mechanism of H₂/CO and the reduced reaction mechanism of NOx, the reduced reaction mechanism of natural gas was constructed (including 40 species and 189 reactions). Compared with the corresponding experimental data, it was found that the reduced reaction mechanism can well predict the ignition delay, laminar combustion and oxidation characteristics of natural gas under various conditions.
- natural gas /
- reduced reaction mechanism /
- decoupling method /
- path sensitivity analysis /
- rate of production analysis

HTML

图 1 不同工况条件下天然气的着火延迟时间

Figure 1. Ignition delay times of natural gas at different conditions

下载: 全尺寸图片幻灯片

图 2 天然气氧化过程中主要组分摩尔分数随温度的变化趋势（p=1.0 MPa、ϕ=1.0）

Figure 2. Variation trend of the main species mole fraction with temperature in the oxidation of nature gas（p=1.0 MPa，ϕ=1.0）

下载: 全尺寸图片幻灯片

图 3 不同工况条件下天然气的层流燃烧速度（p=0.1 MPa、T=298 K）

Figure 3. Laminar combustion speeds of natural gas at different conditions （p=0.1 MPa, T=298 K）

下载: 全尺寸图片幻灯片

图 4 天然气简化反应机理构建流程图

Figure 4. Flow chart of reduced reaction mechanism construction of natural gas

下载: 全尺寸图片幻灯片

图 5 天然气详细反应机理的路径敏感性分析

Figure 5. Path sensitivity analysis of detailed reaction mechanism of natural gas

下载: 全尺寸图片幻灯片

图 6 着火延迟时间与主要组分摩尔分数的不确定范围

Figure 6. Uncertainty ranges of ignition delay times and main species mole fraction

下载: 全尺寸图片幻灯片

图 7 丙烷及主要组分生成速率分析

Figure 7. Rate of production analysis of propane and main species

下载: 全尺寸图片幻灯片

图 8 反应路径分析

Figure 8. Reaction path analysis

下载: 全尺寸图片幻灯片

图 9 天然气着火延迟时间的计算值与试验值对比

Figure 9. Comparisons of simulated and experimental ignition delay time of natural gas

下载: 全尺寸图片幻灯片

图 10 天然气氧化过程（JSR）中主要组分摩尔分数的计算值与试验值^[27]对比

Figure 10. Comparisons of simulated and experimental^[27] main species mole fraction during natural gas oxidation process in JSR

下载: 全尺寸图片幻灯片

图 11 天然气氧化过程（流动管）中主要组分摩尔分数的计算值与试验值^[28]对比

Figure 11. Comparisons of simulated and experimental^[28] main species mole fraction during natural gas oxidation process in the flow tube

下载: 全尺寸图片幻灯片

图 12 天然气层流燃烧速度的计算值与试验值对比

Figure 12. Comparisons of simulated and experimental laminar combustion speeds of natural gas

下载: 全尺寸图片幻灯片

表 1 反应组分编号表

Table 1. Reaction component numbering table

组分编号	反应组分	组分编号	反应组分
1	CO	26	CHOCHO
2	CO₂	27	C₂H₃OOH
3	CH₃	28	C₂H₃OO
4	CH₂	29	CHCHO
5	CH₂（S）	30	C₂H₂
6	C	31	C₂H
7	CH	32	H₂CC
8	CH_V	33	C₂H₅OH
9	CH₃O₂	34	C₂H₅O
10	CH₂O₂H	35	PC₂H₄OH
11	CH₃OH	36	SC₂H₄OH
12	CH₃O	37	C₂H₄O₂H
13	CH₂OH	38	C₂H₄O_1-2
14	CH₂O	39	C₂H₃O_1-2
15	HCO	40	CH₃CHO
16	HCOH	41	CH₃CO
17	HO₂CHO	42	CH₂CHO
18	HOCH₂O	43	HO₂CH₂CO
19	O₂CHO	44	C₂H₃OH
20	HOCHO	45	C₂H₂OH
21	OCHO	46	CH₂CO
22	C₂H₅	47	HCCO
23	C₂H₅O₂	48	HCCOH
24	C₂H₄	49	IC₃H₇
25	C₂H₃	50	NC₃H₇

下载: 导出CSV

参考文献(30)

[1]	尉曙明,索建秦. 航空衍生工业燃气轮机双燃料贫燃预混低污染燃烧技术[J]. 航空动力学报,2015,30(9): 2049-2057. WEI Shuming,SUO Jianqin. Aero-derivative industrial gas turbine dual fuel lean premixed low emission combustion technology[J]. Journal of Aerospace Power,2015,30(9): 2049-2057. (in Chinese)
[2]	DE ALMEIDA D S,LACAVA P T. Analysis of pollutant emissions in double-stage swirl chamber for gas turbine application[J]. Energy Procedia,2015,66: 117-120. doi: 10.1016/j.egypro.2015.02.067
[3]	BULAT G,JONES W P,MARQUIS A J. NO and CO formation in an industrial gas-turbine combustion chamber using LES with the Eulerian sub-grid PDF method[J]. Combustion and Flame,2014,161(7): 1804-1825. doi: 10.1016/j.combustflame.2013.12.028
[4]	LYRA S,CANT R S. Analysis of high pressure premixed flames using Equivalent Reactor Networks for predicting NOx emissions[J]. Fuel,2013,107: 261-268. doi: 10.1016/j.fuel.2012.12.066
[5]	STARIK A M,KOZLOV V E,LEBEDEV A B,et al. Application of reactor net models for the simulation of gas-turbine combustor emissions[J]. International Journal of Sustainable Aviation,2014,1(1): 43-57. doi: 10.1504/IJSA.2014.062867
[6]	ZENG Wen,PANG Liyao,ZHENG Weilin,et al. Study on combustion and emission characteristics of a heavy-duty gas turbine combustor fueled with natural gas[J]. Fuel,2020,275: 117988.1-117988.12.
[7]	陈威昌. 天然气发动机燃烧及排放的CFD模拟研究[D]. 郑州: 华北水利水电大学, 2017. CHEN Weichang. CFD simulation for combustion and emission of a natural gas engine[D]. Zhengzhou: North China University of Water Resources and Electric Power, 2017. (in Chinese)
[8]	咸凯. 天然气发动机爆震特性研究[D]. 济南: 山东大学, 2018. XIAN Kai. Research on knock characteristic of natural gas engine[D]. Jinan: Shandong University, 2018. (in Chinese)
[9]	DROST S,AZNAR M S,SCHIEBL R,et al. Reduced reaction mechanism for natural gas combustion in novel power cycles[J]. Combustion and Flame,2021,223: 486-494. doi: 10.1016/j.combustflame.2020.09.029
[10]	POORGHASEMI K,SARAY R K,BAHLOULI K,et al. 3D CFD simulation of a natural gas fueled HCCI engine with employing a reduced mechanism[J]. Fuel,2016,182: 816-830. doi: 10.1016/j.fuel.2016.06.005
[11]	SMITH G P, TAO Y, WANG H. Foundational fuel chemistry model version 1.0 (FFCM-1)[EB/OL]. [2022-04-20]. http://nanoenergy.stanford.edu/ffcm1, 2016.
[12]	SMITH G. An optimized detailed chemical reaction mechanism for methane combustion[EB/OL]. [2022-04-20]. http://www.me.berkeley.edu/gri_mech.
[13]	CURRAN H J,GAFFURI P,PITZ W J,et al. A comprehensive modeling study of n-heptane oxidation[J]. Combustion and Flame,1998,114(1/2): 149-177.
[14]	WILLIAMS F A. Chemical-kinetic mechanisms for combustion applications[EB/OL]. [2022-04-20]. http://web.eng.ucsd.edu/mae/groups/combustion/mechanism.html.
[15]	YOU X Q, AMEYA V, WANG H. USC mech version II. High-temperature combustion reaction model of H₂/CO/C₁-C₄ Compounds[EB/OL]. [2022-04-20]. http://ignis.usc. edu/USC_Mech_II.htm.
[16]	METCALFE W K,BURKE S M,AHMED S S,et al. A hierarchical and comparative kinetic modeling study of C₁-C₂ hydrocarbon and oxygenated fuels[J]. International Journal of Chemical Kinetics,2013,45(10): 638-675. doi: 10.1002/kin.20802
[17]	HEALY D,CURRAN H J,SIMMIE J M,et al. Methane/ethane/propane mixture oxidation at high pressures and at high, intermediate and low temperatures[J]. Combustion and Flame,2008,155(3): 441-448. doi: 10.1016/j.combustflame.2008.07.003
[18]	DAGAUT P,DAYMA G. Hydrogen-enriched natural gas blend oxidation under high-pressure conditions: experimental and detailed chemical kinetic modeling[J]. International Journal of Hydrogen Energy,2006,31(4): 505-515. doi: 10.1016/j.ijhydene.2005.04.020
[19]	BOURQUE G,HEALY D,CURRAN H,et al. Ignition and flame speed kinetics of two natural gas blends with high levels of heavier hydrocarbons[J]. Journal of Engineering for Gas Turbines and Power,2010,132(2): 021504.1-021504.11.
[20]	CHANG Yachao,JIA Ming,NIU Bo,et al. Reduction of large-scale chemical mechanisms using global sensitivity analysis on reaction class/sub-mechanism[J]. Combustion and Flame,2020,212: 355-366. doi: 10.1016/j.combustflame.2019.11.019
[21]	CHANG Yachao,JIA Ming,FAN Weiwei,et al. Decoupling methodology: an effective way for the development of reduced and skeletal mechanisms[J]. Acta Physico-Chimica Sinica,2016,32(9): 2209-2215. doi: 10.3866/PKU.WHXB201605262
[22]	CHANG Yachao,JIA Ming,LIU Yaodong,et al. Development of a new skeletal mechanism for n-decane oxidation under engine-relevant conditions based on a decoupling methodology[J]. Combustion and Flame,2013,160(8): 1315-1332. doi: 10.1016/j.combustflame.2013.02.017
[23]	蒋勇,邱榕. 复杂化学机理简化的关联水平法[J]. 化学学报,2010,68(5): 403-412. JIANG Yong,QIU Rong. A level of connection method for mechanism reduction of complex chemistry[J]. Acta Chimica Sinica,2010,68(5): 403-412. (in Chinese)
[24]	BURKE U,METCALFE W K,BURKE S M,et al. A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation[J]. Combustion and Flame,2016,165: 125-136. doi: 10.1016/j.combustflame.2015.11.004
[25]	HUANG Haozhong,LÜ Delin,ZHU Jizhen,et al. Development of a new reduced diesel/natural gas mechanism for dual-fuel engine combustion and emission prediction[J]. Fuel,2019,236: 30-42. doi: 10.1016/j.fuel.2018.08.161
[26]	SEERY D J,BOWMAN C T. An experimental and analytical study of methane oxidation behind shock waves[J]. Combustion and Flame,1970,14(1): 37-47. doi: 10.1016/S0010-2180(70)80008-6
[27]	BAKALI A E,DAGAUT P,PILLIER L,et al. Experimental and modeling study of the oxidation of natural gas in a premixed flame, shock tube, and jet-stirred reactor[J]. Combustion and Flame,2004,137(1/2): 109-128.
[28]	田雨师,曾文,陈潇潇,等. 天然气氧化特性的实验与数值计算[J]. 航空动力学报,2022,37(9): 1886-1895. TIAN Yushi,ZENG Wen,CHEN Xiaoxiao,et al. Experiment and simulation on oxidation characteristics of natural gas[J]. Journal of Aerospace Power,2022,37(9): 1886-1895. (in Chinese)
[29]	DIRRENBERGER P,LE GALL H,BOUNACEUR R,et al. Measurements of laminar flame velocity for components of natural gas[J]. Energy & Fuels,2011,25(9): 3875-3884.
[30]	党嘉莹, 曾文, 陈潇潇, 等. 天然气层流燃烧特性的实验与数值计算[EB/OL]. [2021-12-27]. https: //doi.org/10.13224/j.cnki.jasp.20210468