化学反应机理对湍流射流火焰的影响

王云帆; 金捷; 赖根鸿; 王方

doi:10.13700/j.bh.1001-5965.2024.0093

化学反应机理对湍流射流火焰的影响

doi: 10.13700/j.bh.1001-5965.2024.0093

王云帆¹,
金捷^{1, 2, 3},
赖根鸿¹,
王方^{1, 2, 3, ,}

1.
北京航空航天大学能源与动力工程学院，北京 100191
2.
北京航空航天大学江西研究院，南昌 330096
3.
北航成都航空动力创新研究院，成都 611930

基金项目:

国家自然科学基金(20232ACB204026,12172345,92041001)

详细信息

通讯作者:
E-mail：fwang@buaa.edu.cn

中图分类号: V
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- 被引次数: 0
出版历程
- 收稿日期: 2024-02-26
- 录用日期: 2024-06-26
- 网络出版日期: 2024-07-24
- 整期出版日期: 2026-04-30

Influence of chemical reaction mechanism on turbulent jet flame

WANG Yunfan¹,
JIN Jie^{1, 2, 3},
LAI Genhong¹,
WANG Fang^{1, 2, 3
, ,}

1.
School of Energy and Power Engineering，Beihang University，Beijing 100191
2.
Jiangxi Research Institute，Beihang University，Nanchang 330096
3.
Chengdu Innovation Research Institute on Aircraft Power of Beihang University，Chengdu 611930

Funds:

National Natural Science Foundation of China (20232ACB204026,12172345,92041001)

More Information

Corresponding author: E-mail：fwang@buaa.edu.cn

摘要

摘要:
湍流燃烧在在工业与运输业中的应用广泛，燃烧过程中流动与化学反应强烈耦合，且耦合机理复杂，因而燃烧模拟中需要引入化学反应机理。化学反应机理种类多、数量大，且机理的选择对于模拟结果的影响巨大。为了探究化学反应机理对于湍流射流火焰模拟的影响，选择了11种不同的化学反应机理，对其进行了反应动力学分析，选择Sandia Flame D湍流射流火焰作为研究对象，提取了计算稳定后的温度、组分浓度等数据进行对比分析。结果表明：不同化学机理的动力学表现差异较大，其中，总包机理JL4由于省略了过多的中间产物，导致点火延迟时间过短，而SMOOKE和z42机理由于省略了多碳原子组分，导致点火延迟时间较实验值更长；不同机理的计算结果随流场的发展而差异增大，靠近燃料进口处的差异主要来源于动力学表现的差异，而远离燃料进口处的差异则更多来源于不同化学反应机理中参与的组分、反应种类不同；对于所有的化学机理，存在当中使用的组分数越多，化学反应的高释热率区域越集中，火焰长度越短，全场最高温度越高的趋势。
- 化学反应机理 /
- 大涡模拟-运输概率密度函数 /
- 湍流火焰 /
- 燃烧仿真 /
- Sandia Flame D涡流射流火焰
Abstract:
Turbulent combustion is extensively employed in industry and transportation, where the flow and chemical reactions are intricately interconnected. Due to the complexity of this coupling mechanism, it is essential to incorporate the chemical reaction mechanism in combustion simulations. However, there are many kinds and quantities of chemical reaction mechanisms, and the choice of mechanism has great influence on the simulation results. In this article, 11 distinct chemical reaction mechanisms were chosen and their reaction kinetics examined in order to investigate the impact of chemical reaction mechanisms on the simulation of turbulent jet flame. Then Sandia Flame D turbulent jet flame was selected as the research object, and the temperature and component concentration data after calculation and stability were extracted for comparative analysis. The findings demonstrate the stark differences in the kinetic performance of several chemical processes. The ignition delay time of the global mechanism JL4 is too short due to the omission of too many intermediate species. The ignition delay time of the SMOOKE mechanism and the z42 mechanism is longer than the experimental value due to the omission of multi-carbon species. As the flow field develops, the disparity between the computation outputs of various methods grows. Whereas the difference away from the fuel inlet is mostly caused by the various species and elementary processes involved in various chemical reaction mechanisms, the difference near the fuel inlet is primarily caused by the difference in kinetic performance. For all chemical mechanisms, there is a tendency that the more species used in the chemical reaction, the more concentrated the region of high heat release rate, the shorter the flame length, and the higher the maximum temperature throughout the field.
- chemical mechanisms /
- LES-TPDF /
- turbulent flame /
- combustion simulation /
- sandia flame D turbulent jet flame

HTML全文

图 1 Sandia Flame实验图像与结构示意图

Figure 1. Sandia Flame experimental image and structure schematic

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图 2 网格划分示意图

Figure 2. Schematic diagram of grid mesh

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图 3 不同化学机理绝热火焰温度

Figure 3. Adiabatic flame temperature for different mechanisms

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图 4 不同化学机理点火延迟时间

Figure 4. Ignition delay time for different mechanisms

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图 5 不同化学机理层流火焰传播速度

Figure 5. Laminar flame propagation velocity for different mechanisms

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图 6 不同机理时均温度云图

Figure 6. Time-averaged temperature contour for different mechanisms

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图 7 不同机理时均释热率云图

Figure 7. Time-averaged heat release rate contour for different mechanisms

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图 8 z/d=3截面不同机理下各物理量时均结果分布图

Figure 8. z/d=3 section time-averaged distribution of each physical quantity for different mechanisms

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图 9 z/d=15截面不同机理下各物理量时均结果分布图

Figure 9. z/d=15 section time-averaged distribution of each physical quantity for different mechanisms

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图 10 z/d=45截面不同机理下各物理量时均结果分布图

Figure 10. z/d=45 section time-averaged distribution of each physical quantity for different mechanisms

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图 11 不同反应机理每万网格计算时间-组分数散点图

Figure 11. Scatterplot of calculation time per 10,000 grids and number of species for different reaction mechanisms

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图 12 不同反应机理每万网格计算时间-反应数散点图

Figure 12. Scatterplot of calculation time per 10,000 grids and number of reactions for different reaction mechanisms

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表 1 本文使用的甲烷化学反应机理

Table 1. The chemical reaction mechanism of methane used in this paper

机理名称	组分数	步数/步	机理类型	文献来源
JL4	7	4	总包机理	[11]
CML10	14	10（175个反应）	准稳态机理	[12]
15step	19	15（323个反应）	准稳态机理	[13]
Sk17	17	73	骨架机理	[14]
Sk30	30	184	骨架机理	[15]
SMOOKE	16	35	骨架机理	[16]
Z42	18	42	骨架机理	[17]
DRM19	21	84	半详细机理	[18]
DRM22	24	104	半详细机理	[18]
GRI1.2	32	177	详细机理	[19]
GRI3.0	53	325	详细机理	[19]

下载: 导出CSV

种类	JL4	SMOOKE	Z42	sk17	sk30	DRM19	DRM22	GRI1.2	GRI3.0	求和
CH4	1	1	1	1	1	1	1	1	1	9
CO	1	1	1	1	1	1	1	1	1	9
CO2	1	1	1	1	1	1	1	1	1	9
H2	1	1	1	1	1	1	1	1	1	9
H2O	1	1	1	1	1	1	1	1	1	9
N2	1	1	1	1	1	1	1	1	1	9
O2	1	1	1	1	1	1	1	1	1	9
CH2O	0	1	1	1	1	1	1	1	1	8
CH3	0	1	1	1	1	1	1	1	1	8
H	0	1	1	1	1	1	1	1	1	8
HCO	0	1	1	1	1	1	1	1	1	8
HO2	0	1	1	1	1	1	1	1	1	8
O	0	1	1	1	1	1	1	1	1	8
OH	0	1	1	1	1	1	1	1	1	8
CH2	0	0	1	1	1	1	1	1	1	7
CH3O	0	1	1	0	1	1	1	1	1	7
CH2(S)	0	0	0	1	1	1	1	1	1	6
H2O2	0	1	1	0	1	0	1	1	1	6
C2H4	0	0	0	0	1	1	1	1	1	5
C2H5	0	0	0	0	1	1	1	1	1	5
C2H6	0	0	0	0	1	1	1	1	1	5
AR	0	0	0	0	0	1	1	1	1	4
C2H2	0	0	0	0	1	0	1	1	1	4
C2H3	0	0	0	0	1	0	1	1	1	4
CH	0	0	1	0	1	0	0	1	1	4
CH2OH	0	0	0	1	1	0	0	1	1	4
C	0	0	0	0	1	0	0	1	1	3
CH2CO	0	0	0	0	1	0	0	1	1	3
CH3OH	0	0	0	0	1	0	0	1	1	3
HCCO	0	0	0	0	1	0	0	1	1	3
C2H	0	0	0	0	0	0	0	1	1	2
CH2CHO	0	0	0	0	1	0	0	0	1	2
HCCOH	0	0	0	0	0	0	0	1	1	2
C3H7	0	0	0	0	0	0	0	0	1	1
C3H8	0	0	0	0	0	0	0	0	1	1
CH3CHO	0	0	0	0	0	0	0	0	1	1
CN	0	0	0	0	0	0	0	0	1	1
H2CN	0	0	0	0	0	0	0	0	1	1
HCN	0	0	0	0	0	0	0	0	1	1
HCNN	0	0	0	0	0	0	0	0	1	1
HCNO	0	0	0	0	0	0	0	0	1	1
HNCO	0	0	0	0	0	0	0	0	1	1
HNO	0	0	0	0	0	0	0	0	1	1
HOCN	0	0	0	0	0	0	0	0	1	1
N	0	0	0	0	0	0	0	0	1	1
N2O	0	0	0	0	0	0	0	0	1	1
NCO	0	0	0	0	0	0	0	0	1	1
NH	0	0	0	0	0	0	0	0	1	1
NH2	0	0	0	0	0	0	0	0	1	1
NH3	0	0	0	0	0	0	0	0	1	1
NNH	0	0	0	0	0	0	0	0	1	1
NO	0	0	0	0	0	0	0	0	1	1
NO2	0	0	0	0	0	0	0	0	1	1
注：1为包含，0为不包含。

下载: 导出CSV

化学反应	JL4	SMOOKE	Z42	sk17	sk30	DRM19	DRM22	GRI1.2	GRI3.0	求和
O+H2=H+OH	0	1	1	1	1	1	1	1	1	8
O+CH3=H+CH2O	0	1	1	1	1	1	1	1	1	8
H+O2+M=HO2+M	0	1	1	1	1	1	1	1	1	8
H+O2=O+OH	0	1	1	1	1	1	1	1	1	8
2H+M=H2+M	0	1	1	1	1	1	1	1	1	8
H+OH+M=H2O+M	0	1	1	1	1	1	1	1	1	8
H+HO2=O2+H2	0	1	1	1	1	1	1	1	1	8
H+HO2=2OH	0	1	1	1	1	1	1	1	1	8
H+CH3+M=CH4+M	0	1	1	1	1	1	1	1	1	8
H+CH4=CH3+H2	0	1	1	1	1	1	1	1	1	8
H+HCO=H2+CO	0	1	1	1	1	1	1	1	1	8
H+CH2O=HCO+H2	0	1	1	1	1	1	1	1	1	8
OH+H2=H+H2O	0	1	1	1	1	1	1	1	1	8
2OH=O+H2O	0	1	1	1	1	1	1	1	1	8
OH+HO2=O2+H2O	0	1	1	1	1	1	1	1	1	8
OH+CH4=CH3+H2O	0	1	1	1	1	1	1	1	1	8
OH+CO=H+CO2	0	1	1	1	1	1	1	1	1	8
OH+CH2O=HCO+H2O	0	1	1	1	1	1	1	1	1	8
HCO+M=H+CO+M	0	1	1	1	1	1	1	1	1	8
OH+CH3=CH2+H2O	0	0	1	1	1	1	1	1	1	7
CH3+O2=O+CH3O	0	1	1	0	1	1	1	1	1	7
O+H+M=OH+M	0	0	0	1	1	1	1	1	1	6
O+HO2=OH+O2	0	0	0	1	1	1	1	1	1	6
O+CH2=H+HCO	0	0	0	1	1	1	1	1	1	6
O+CH4=OH+CH3	0	0	0	1	1	1	1	1	1	6
O+CO+M=CO2+M	0	0	0	1	1	1	1	1	1	6
O+HCO=OH+CO	0	0	0	1	1	1	1	1	1	6
O+HCO=H+CO2	0	0	0	1	1	1	1	1	1	6
O+CH2O=OH+HCO	0	0	0	1	1	1	1	1	1	6
O2+CO=O+CO2	0	0	0	1	1	1	1	1	1	6
O2+CH2O=HO2+HCO	0	0	0	1	1	1	1	1	1	6
H+2O2=HO2+O2	0	0	0	1	1	1	1	1	1	6
H+O2+H2O=HO2+H2O	0	0	0	1	1	1	1	1	1	6
H+O2+N2=HO2+N2	0	0	0	1	1	1	1	1	1	6
2H+H2O=H2+H2O	0	0	0	1	1	1	1	1	1	6
2H+CO2=H2+CO2	0	0	0	1	1	1	1	1	1	6
H+CH2+M=CH3+M	0	0	0	1	1	1	1	1	1	6
H+HCO+M=CH2O+M	0	0	0	1	1	1	1	1	1	6
H2+CO+M=CH2O+M	0	0	0	1	1	1	1	1	1	6
OH+CH2=H+CH2O	0	0	0	1	1	1	1	1	1	6
OH+CH2(S)=H+CH2O	0	0	0	1	1	1	1	1	1	6
OH+CH3=CH2(S)+H2O	0	0	0	1	1	1	1	1	1	6
OH+HCO=H2O+CO	0	0	0	1	1	1	1	1	1	6
HO2+CH2=OH+CH2O	0	0	0	1	1	1	1	1	1	6
HO2+CH3=O2+CH4	0	0	0	1	1	1	1	1	1	6
HO2+CO=OH+CO2	0	0	0	1	1	1	1	1	1	6
CH2+H2=H+CH3	0	0	0	1	1	1	1	1	1	6
CH2+CH4=2CH3	0	0	0	1	1	1	1	1	1	6
CH2(S)+N2=CH2+N2	0	0	0	1	1	1	1	1	1	6
CH2(S)+O2=H+OH+CO	0	0	0	1	1	1	1	1	1	6
CH2(S)+O2=CO+H2O	0	0	0	1	1	1	1	1	1	6
CH2(S)+H2=CH3+H	0	0	0	1	1	1	1	1	1	6
CH2(S)+H2O=CH2+H2O	0	0	0	1	1	1	1	1	1	6
CH2(S)+CH4=2CH3	0	0	0	1	1	1	1	1	1	6
CH2(S)+CO=CH2+CO	0	0	0	1	1	1	1	1	1	6
CH2(S)+CO2=CH2+CO2	0	0	0	1	1	1	1	1	1	6
CH2(S)+CO2=CO+CH2O	0	0	0	1	1	1	1	1	1	6
CH3+O2=OH+CH2O	0	0	0	1	1	1	1	1	1	6
CH3+HCO=CH4+CO	0	0	0	1	1	1	1	1	1	6
CH3+CH2O=HCO+CH4	0	0	0	1	1	1	1	1	1	6
HCO+H2O=H+CO+H2O	0	0	0	1	1	1	1	1	1	6
HCO+O2=HO2+CO	0	0	0	1	1	1	1	1	1	6
2OH+M=H2O2+M	0	1	1	0	1	0	1	1	1	6
OH+H2O2=HO2+H2O	0	1	1	0	1	0	1	1	1	6
2HO2=O2+H2O2	0	1	1	0	1	0	1	1	1	6
O+CH2(S)=H+HCO	0	0	0	0	1	1	1	1	1	5
O+C2H4=CH3+HCO	0	0	0	0	1	1	1	1	1	5
O+C2H5=CH3+CH2O	0	0	0	0	1	1	1	1	1	5
O+C2H6=OH+C2H5	0	0	0	0	1	1	1	1	1	5
H+CH2O+M=CH3O+M	0	0	0	0	1	1	1	1	1	5
H+CH3O=OH+CH3	0	0	0	0	1	1	1	1	1	5
H+C2H4+M=C2H5+M	0	0	0	0	1	1	1	1	1	5
H+C2H5+M=C2H6+M	0	0	0	0	1	1	1	1	1	5
H+C2H6=C2H5+H2	0	0	0	0	1	1	1	1	1	5
OH+C2H6=C2H5+H2O	0	0	0	0	1	1	1	1	1	5
HO2+CH3=OH+CH3O	0	0	0	0	1	1	1	1	1	5
CH2+CH3=H+C2H4	0	0	0	0	1	1	1	1	1	5
CH2(S)+CH3=H+C2H4	0	0	0	0	1	1	1	1	1	5
2CH3+M=C2H6+M	0	0	0	0	1	1	1	1	1	5
2CH3=H+C2H5	0	0	0	0	1	1	1	1	1	5
CH3+C2H6=C2H5+CH4	0	0	0	0	1	1	1	1	1	5
CH3O+O2=HO2+CH2O	0	0	0	0	1	1	1	1	1	5
C2H5+O2=HO2+C2H4	0	0	0	0	1	1	1	1	1	5
CH3O+H=H2+CH2O	0	1	1	0	1	0	0	1	1	5
H+O2+AR=HO2+AR	0	0	0	0	0	1	1	1	1	4
CH2+O2=OH+HCO	0	0	0	1	0	1	1	1	0	4
CH2(S)+AR=CH2+AR	0	0	0	0	0	1	1	1	1	4
O+C2H2=CO+CH2	0	0	0	0	1	0	1	1	1	4
H+H2O2=HO2+H2	0	0	0	0	1	0	1	1	1	4
H+C2H2+M=C2H3+M	0	0	0	0	1	0	1	1	1	4
H+C2H3+M=C2H4+M	0	0	0	0	1	0	1	1	1	4
H+C2H3=H2+C2H2	0	0	0	0	1	0	1	1	1	4
H+C2H4=C2H3+H2	0	0	0	0	1	0	1	1	1	4
OH+C2H2=CH3+CO	0	0	0	0	1	0	1	1	1	4
OH+C2H3=H2O+C2H2	0	0	0	0	1	0	1	1	1	4
OH+C2H4=C2H3+H2O	0	0	0	0	1	0	1	1	1	4
HO2+CH2O=HCO+H2O2	0	0	0	0	1	0	1	1	1	4
2CH2=H2+C2H2	0	0	0	0	1	0	1	1	1	4
CH3+H2O2=HO2+CH4	0	0	0	0	1	0	1	1	1	4
CH3+C2H4=C2H3+CH4	0	0	0	0	1	0	1	1	1	4
C2H3+O2=HCO+CH2O	0	0	0	0	1	0	1	1	1	4
C2H4+M=H2+C2H2+M	0	0	0	0	1	0	1	1	1	4
2O+M=O2+M	0	0	0	1	1	0	0	1	1	4
HO2+H=O+H2O	0	0	0	1	1	0	0	1	1	4
CH+O=H+CO	0	0	1	0	1	0	0	1	1	4
CH+OH=H+HCO	0	0	1	0	1	0	0	1	1	4
CH+O2=O+HCO	0	0	1	0	1	0	0	1	1	4
CH+CO2=HCO+CO	0	0	1	0	1	0	0	1	1	4
CH2+OH=CH+H2O	0	0	1	0	1	0	0	1	1	4
CH2OH+H=H2+CH2O	0	0	0	1	1	0	0	1	1	4
CH2OH+H=OH+CH3	0	0	0	1	1	0	0	1	1	4
CH2OH+H=CH2(S)+H2O	0	0	0	1	1	0	0	1	1	4
CH2OH+O=OH+CH2O	0	0	0	1	1	0	0	1	1	4
CH2OH+OH=H2O+CH2O	0	0	0	1	1	0	0	1	1	4
CH2OH+O2=HO2+CH2O	0	0	0	1	1	0	0	1	1	4
O+CH2(S)=H2+CO	0	0	0	1	1	0	0	1	1	4
H+CH2O+M=CH2OH+M	0	0	0	1	1	0	0	1	1	4
H2O2+H=OH+H2O	0	0	0	0	1	0	0	1	1	3
H2O2+O=OH+HO2	0	0	0	0	1	0	0	1	1	3
C+OH=H+CO	0	0	0	0	1	0	0	1	1	3
C+O2=O+CO	0	0	0	0	1	0	0	1	1	3
CH+H=C+H2	0	0	0	0	1	0	0	1	1	3
CH+H2=H+CH2	0	0	0	0	1	0	0	1	1	3
CH+H2O=H+CH2O	0	0	0	0	1	0	0	1	1	3
CH+CO+M=HCCO+M	0	0	0	0	1	0	0	1	1	3
CH2+CH=H+C2H2	0	0	0	0	1	0	0	1	1	3
CH2(S)+H=CH+H2	0	0	0	0	1	0	0	1	1	3
CH2(S)+H2O+M=CH3OH+M	0	0	0	0	1	0	0	1	1	3
CH2O+CH=H+CH2CO	0	0	0	0	1	0	0	1	1	3
CH3+OH+M=CH3OH+M	0	0	0	0	1	0	0	1	1	3
CH3+C=H+C2H2	0	0	0	0	1	0	0	1	1	3
CH3+CH=H+C2H3	0	0	0	0	1	0	0	1	1	3
CH3O+H+M=CH3OH+M	0	0	0	0	1	0	0	1	1	3
CH3O+H=H+CH2OH	0	0	0	0	1	0	0	1	1	3
CH3O+H=CH2(S)+H2O	0	0	0	0	1	0	0	1	1	3
CH3O+O=OH+CH2O	0	0	0	0	1	0	0	1	1	3
CH3O+OH=H2O+CH2O	0	0	0	0	1	0	0	1	1	3
CH2OH+H+M=CH3OH+M	0	0	0	0	1	0	0	1	1	3
CH4+CH=H+C2H4	0	0	0	0	1	0	0	1	1	3
CH3OH+H=CH2OH+H2	0	0	0	0	1	0	0	1	1	3
CH3OH+H=CH3O+H2	0	0	0	0	1	0	0	1	1	3
CH3OH+O=OH+CH2OH	0	0	0	0	1	0	0	1	1	3
CH3OH+O=OH+CH3O	0	0	0	0	1	0	0	1	1	3
CH3OH+OH=CH2OH+H2O	0	0	0	0	1	0	0	1	1	3
CH3OH+OH=CH3O+H2O	0	0	0	0	1	0	0	1	1	3
CH3OH+CH3=CH2OH+CH4	0	0	0	0	1	0	0	1	1	3
CH3OH+CH3=CH3O+CH4	0	0	0	0	1	0	0	1	1	3
HCCO+H=CH2(S)+CO	0	0	0	0	1	0	0	1	1	3
HCCO+O=H+2CO	0	0	0	0	1	0	0	1	1	3
HCCO+O2=OH+2CO	0	0	0	0	1	0	0	1	1	3
HCCO+CH=CO+C2H2	0	0	0	0	1	0	0	1	1	3
HCCO+CH2=C2H3+CO	0	0	0	0	1	0	0	1	1	3
2HCCO=2CO+C2H2	0	0	0	0	1	0	0	1	1	3
C2H2+O=H+HCCO	0	0	0	0	1	0	0	1	1	3
C2H2+OH=H+CH2CO	0	0	0	0	1	0	0	1	1	3
CH2+CO+M=CH2CO+M	0	0	0	0	1	0	0	1	1	3
CH2CO+H=HCCO+H2	0	0	0	0	1	0	0	1	1	3
CH2CO+H=CH3+CO	0	0	0	0	1	0	0	1	1	3
CH2CO+O=OH+HCCO	0	0	0	0	1	0	0	1	1	3
CH2CO+O=CH2+CO2	0	0	0	0	1	0	0	1	1	3
CH2CO+OH=HCCO+H2O	0	0	0	0	1	0	0	1	1	3
C2H3+O=H+CH2CO	0	0	0	0	1	0	0	1	1	3
C2H5+H=H2+C2H4	0	0	0	0	1	0	0	1	1	3
C2H6+CH2(S)=CH3+C2H5	0	0	0	0	1	0	0	1	1	3
H2O2+M=2OH+M	0	1	1	0	0	0	0	0	0	2
CH+H2+M=CH3+M	0	0	0	0	1	0	0	0	1	2
CH2+O2=OH+H+CO	0	0	0	0	1	0	0	0	1	2
CH2+O2=2H+CO2	0	0	0	0	1	0	0	0	1	2
CH2+O2=O+CH2O	0	0	0	0	1	0	0	0	1	2
CH2+C=H+C2H	0	0	0	0	0	0	0	1	1	2
2CH2=2H+C2H2	0	0	0	0	1	0	0	0	1	2
CH2(S)+H2O=H2+CH2O	0	0	0	0	1	0	0	0	1	2
CH3+O=H+H2+CO	0	0	0	0	1	0	0	0	1	2
CH3+OH=H2+CH2O	0	0	0	0	1	0	0	0	1	2
CH3O+M=H+CH2O+M	0	1	1	0	0	0	0	0	0	2
C2H+H+M=C2H2+M	0	0	0	0	0	0	0	1	1	2
C2H+O=CH+CO	0	0	0	0	0	0	0	1	1	2
C2H+OH=H+HCCO	0	0	0	0	0	0	0	1	1	2
C2H+H2=H+C2H2	0	0	0	0	0	0	0	1	1	2
C2H+O2=HCO+CO	0	0	0	0	0	0	0	1	1	2
C2H2+OH=C2H+H2O	0	0	0	0	0	0	0	1	1	2
C2H3+O2=CH2CHO+O	0	0	0	0	1	0	0	0	1	2
C2H3+O2=C2H2+HO2	0	0	0	0	1	0	0	0	1	2
CH2CHO+H=CH3+HCO	0	0	0	0	1	0	0	0	1	2
CH2CHO+H=CH2CO+H2	0	0	0	0	1	0	0	0	1	2
CH2CHO+O=H+CH2+CO2	0	0	0	0	1	0	0	0	1	2
CH2CHO+OH=H2O+CH2CO	0	0	0	0	1	0	0	0	1	2
CH2CHO+OH=HCO+CH2OH	0	0	0	0	1	0	0	0	1	2
CH2CHO+O2=OH+CO+CH2O	0	0	0	0	1	0	0	0	1	2
C2H4+O=H+CH2CHO	0	0	0	0	1	0	0	0	1	2
O+C2H2=OH+C2H	0	0	0	0	0	0	0	1	1	2
H+HCCOH=H+CH2CO	0	0	0	0	0	0	0	1	1	2
OH+C2H2=H+HCCOH	0	0	0	0	0	0	0	1	1	2
H+CH2CO+M=CH2CHO+M	0	0	0	0	1	0	0	0	1	2
O2+CH2CHO=OH+2HCO	0	0	0	0	1	0	0	0	1	2
O+OH=O2+H	0	1	1	0	0	0	0	0	0	2
OH+H=O+H2	0	1	1	0	0	0	0	0	0	2
H2O+H=H2+OH	0	1	1	0	0	0	0	0	0	2
H2O+O=OH+OH	0	1	1	0	0	0	0	0	0	2
CO2+H=CO+OH	0	1	1	0	0	0	0	0	0	2
CH4=CH3+H	0	1	1	0	0	0	0	0	0	2
CH3+H2=CH4+H	0	1	1	0	0	0	0	0	0	2
CH3+H2O=CH4+OH	0	1	1	0	0	0	0	0	0	2
H2O+HO2=H2O2+OH	0	1	1	0	0	0	0	0	0	2
O+C2H2=CH2(S)+CO	0	0	0	0	0	0	1	0	0	1
CH3CHO+H=CH2CHO+H2	0	0	0	0	0	0	0	0	1	1
CH3CHO+O=OH+CH2CHO	0	0	0	0	0	0	0	0	1	1
C2H5+O=H+CH3CHO	0	0	0	0	0	0	0	0	1	1
N+NO=N2+O	0	0	0	0	0	0	0	0	1	1
N+O2=NO+O	0	0	0	0	0	0	0	0	1	1
N+OH=NO+H	0	0	0	0	0	0	0	0	1	1
N2O+O=N2+O2	0	0	0	0	0	0	0	0	1	1
N2O+O=2NO	0	0	0	0	0	0	0	0	1	1
N2O+H=N2+OH	0	0	0	0	0	0	0	0	1	1
N2O+OH=N2+HO2	0	0	0	0	0	0	0	0	1	1
N2O+M=N2+O+M	0	0	0	0	0	0	0	0	1	1
HO2+NO=NO2+OH	0	0	0	0	0	0	0	0	1	1
NO+O+M=NO2+M	0	0	0	0	0	0	0	0	1	1
NO2+O=NO+O2	0	0	0	0	0	0	0	0	1	1
NO2+H=NO+OH	0	0	0	0	0	0	0	0	1	1
NH+O=NO+H	0	0	0	0	0	0	0	0	1	1
NH+H=N+H2	0	0	0	0	0	0	0	0	1	1
NH+OH=HNO+H	0	0	0	0	0	0	0	0	1	1
NH+OH=N+H2O	0	0	0	0	0	0	0	0	1	1
NH+O2=HNO+O	0	0	0	0	0	0	0	0	1	1
NH+O2=NO+OH	0	0	0	0	0	0	0	0	1	1
NH+N=N2+H	0	0	0	0	0	0	0	0	1	1
NH+H2O=HNO+H2	0	0	0	0	0	0	0	0	1	1
NH+NO=N2+OH	0	0	0	0	0	0	0	0	1	1
NH+NO=N2O+H	0	0	0	0	0	0	0	0	1	1
NH2+O=OH+NH	0	0	0	0	0	0	0	0	1	1
NH2+O=H+HNO	0	0	0	0	0	0	0	0	1	1
NH2+H=NH+H2	0	0	0	0	0	0	0	0	1	1
NH2+OH=NH+H2O	0	0	0	0	0	0	0	0	1	1
NNH=N2+H	0	0	0	0	0	0	0	0	1	1
NNH+O2=HO2+N2	0	0	0	0	0	0	0	0	1	1
NNH+O=OH+N2	0	0	0	0	0	0	0	0	1	1
NNH+O=NH+NO	0	0	0	0	0	0	0	0	1	1
NNH+H=H2+N2	0	0	0	0	0	0	0	0	1	1
NNH+OH=H2O+N2	0	0	0	0	0	0	0	0	1	1
NNH+CH3=CH4+N2	0	0	0	0	0	0	0	0	1	1
H+NO+M=HNO+M	0	0	0	0	0	0	0	0	1	1
HNO+O=NO+OH	0	0	0	0	0	0	0	0	1	1
HNO+H=H2+NO	0	0	0	0	0	0	0	0	1	1
HNO+OH=NO+H2O	0	0	0	0	0	0	0	0	1	1
HNO+O2=HO2+NO	0	0	0	0	0	0	0	0	1	1
CN+O=CO+N	0	0	0	0	0	0	0	0	1	1
CN+OH=NCO+H	0	0	0	0	0	0	0	0	1	1
CN+H2O=HCN+OH	0	0	0	0	0	0	0	0	1	1
CN+O2=NCO+O	0	0	0	0	0	0	0	0	1	1
CN+H2=HCN+H	0	0	0	0	0	0	0	0	1	1
NCO+O=NO+CO	0	0	0	0	0	0	0	0	1	1
NCO+H=NH+CO	0	0	0	0	0	0	0	0	1	1
NCO+OH=NO+H+CO	0	0	0	0	0	0	0	0	1	1
NCO+N=N2+CO	0	0	0	0	0	0	0	0	1	1
NCO+O2=NO+CO2	0	0	0	0	0	0	0	0	1	1
NCO+M=N+CO+M	0	0	0	0	0	0	0	0	1	1
NCO+NO=N2O+CO	0	0	0	0	0	0	0	0	1	1
NCO+NO=N2+CO2	0	0	0	0	0	0	0	0	1	1
HCN+M=H+CN+M	0	0	0	0	0	0	0	0	1	1
HCN+O=NCO+H	0	0	0	0	0	0	0	0	1	1
HCN+O=NH+CO	0	0	0	0	0	0	0	0	1	1
HCN+O=CN+OH	0	0	0	0	0	0	0	0	1	1
HCN+OH=HOCN+H	0	0	0	0	0	0	0	0	1	1
HCN+OH=HNCO+H	0	0	0	0	0	0	0	0	1	1
HCN+OH=NH2+CO	0	0	0	0	0	0	0	0	1	1
H+HCN+M=H2CN+M	0	0	0	0	0	0	0	0	1	1
H2CN+N=N2+CH2	0	0	0	0	0	0	0	0	1	1
C+N2=CN+N	0	0	0	0	0	0	0	0	1	1
CH+N2=HCN+N	0	0	0	0	0	0	0	0	1	1
CH+N2+M=HCNN+M	0	0	0	0	0	0	0	0	1	1
CH2+N2=HCN+NH	0	0	0	0	0	0	0	0	1	1
CH2(S)+N2=NH+HCN	0	0	0	0	0	0	0	0	1	1
C+NO=CN+O	0	0	0	0	0	0	0	0	1	1
C+NO=CO+N	0	0	0	0	0	0	0	0	1	1
CH+NO=HCN+O	0	0	0	0	0	0	0	0	1	1
CH+NO=H+NCO	0	0	0	0	0	0	0	0	1	1
CH+NO=N+HCO	0	0	0	0	0	0	0	0	1	1
CH2+NO=H+HNCO	0	0	0	0	0	0	0	0	1	1
CH2+NO=OH+HCN	0	0	0	0	0	0	0	0	1	1
CH2+NO=H+HCNO	0	0	0	0	0	0	0	0	1	1
CH2(S)+NO=H+HNCO	0	0	0	0	0	0	0	0	1	1
CH2(S)+NO=OH+HCN	0	0	0	0	0	0	0	0	1	1
CH2(S)+NO=H+HCNO	0	0	0	0	0	0	0	0	1	1
CH3+NO=HCN+H2O	0	0	0	0	0	0	0	0	1	1
CH3+NO=H2CN+OH	0	0	0	0	0	0	0	0	1	1
HCNN+O=CO+H+N2	0	0	0	0	0	0	0	0	1	1
HCNN+O=HCN+NO	0	0	0	0	0	0	0	0	1	1
HCNN+O2=O+HCO+N2	0	0	0	0	0	0	0	0	1	1
HCNN+OH=H+HCO+N2	0	0	0	0	0	0	0	0	1	1
HCNN+H=CH2+N2	0	0	0	0	0	0	0	0	1	1
HNCO+O=NH+CO2	0	0	0	0	0	0	0	0	1	1
HNCO+O=HNO+CO	0	0	0	0	0	0	0	0	1	1
HNCO+O=NCO+OH	0	0	0	0	0	0	0	0	1	1
HNCO+H=NH2+CO	0	0	0	0	0	0	0	0	1	1
HNCO+H=H2+NCO	0	0	0	0	0	0	0	0	1	1
HNCO+OH=NCO+H2O	0	0	0	0	0	0	0	0	1	1
HNCO+OH=NH2+CO2	0	0	0	0	0	0	0	0	1	1
HNCO+M=NH+CO+M	0	0	0	0	0	0	0	0	1	1
HCNO+H=H+HNCO	0	0	0	0	0	0	0	0	1	1
HCNO+H=OH+HCN	0	0	0	0	0	0	0	0	1	1
HCNO+H=NH2+CO	0	0	0	0	0	0	0	0	1	1
HOCN+H=H+HNCO	0	0	0	0	0	0	0	0	1	1
HCCO+NO=HCNO+CO	0	0	0	0	0	0	0	0	1	1
CH3+N=H2CN+H	0	0	0	0	0	0	0	0	1	1
CH3+N=HCN+H2	0	0	0	0	0	0	0	0	1	1
NH3+H=NH2+H2	0	0	0	0	0	0	0	0	1	1
NH3+OH=NH2+H2O	0	0	0	0	0	0	0	0	1	1
NH3+O=NH2+OH	0	0	0	0	0	0	0	0	1	1
NH+CO2=HNO+CO	0	0	0	0	0	0	0	0	1	1
CN+NO2=NCO+NO	0	0	0	0	0	0	0	0	1	1
NCO+NO2=N2O+CO2	0	0	0	0	0	0	0	0	1	1
N+CO2=NO+CO	0	0	0	0	0	0	0	0	1	1
O+CH3CHO=OH+CH3+CO	0	0	0	0	0	0	0	0	1	1
O2+CH3CHO=HO2+CH3+CO	0	0	0	0	0	0	0	0	1	1
H+CH3CHO=CH3+H2+CO	0	0	0	0	0	0	0	0	1	1
OH+CH3CHO=CH3+H2O+CO	0	0	0	0	0	0	0	0	1	1
HO2+CH3CHO=CH3+H2O2+CO	0	0	0	0	0	0	0	0	1	1
CH3+CH3CHO=CH3+CH4+CO	0	0	0	0	0	0	0	0	1	1
CH3+C2H5+M=C3H8+M	0	0	0	0	0	0	0	0	1	1
O+C3H8=OH+C3H7	0	0	0	0	0	0	0	0	1	1
H+C3H8=C3H7+H2	0	0	0	0	0	0	0	0	1	1
OH+C3H8=C3H7+H2O	0	0	0	0	0	0	0	0	1	1
C3H7+H2O2=HO2+C3H8	0	0	0	0	0	0	0	0	1	1
CH3+C3H8=C3H7+CH4	0	0	0	0	0	0	0	0	1	1
CH3+C2H4+M=C3H7+M	0	0	0	0	0	0	0	0	1	1
O+C3H7=C2H5+CH2O	0	0	0	0	0	0	0	0	1	1
H+C3H7+M=C3H8+M	0	0	0	0	0	0	0	0	1	1
H+C3H7=CH3+C2H5	0	0	0	0	0	0	0	0	1	1
OH+C3H7=C2H5+CH2OH	0	0	0	0	0	0	0	0	1	1
HO2+C3H7=O2+C3H8	0	0	0	0	0	0	0	0	1	1
HO2+C3H7=OH+C2H5+CH2O	0	0	0	0	0	0	0	0	1	1
CH3+C3H7=2C2H5	0	0	0	0	0	0	0	0	1	1
H2+0.5O2=1H2O	1	0	0	0	0	0	0	0	0	1
H2O+CO=H2+CO2	1	0	0	0	0	0	0	0	0	1
CH4+H2O=1CO+3H2	1	0	0	0	0	0	0	0	0	1
CH4+0.5O2=1CO+2H2	1	0	0	0	0	0	0	0	0	1
CH2+O=CO+H2	0	0	1	0	0	0	0	0	0	1
注：1为包含，0为不包含。

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参考文献(22)

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