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Development of efficient and accurate skeletal mechanisms for hydrocarbon fuels and kerosene surrogate
Zhong FQ(仲峰泉); Ma SG; Zhang XY(张新宇); Sung CJ; Niemeyer KE; Zhong, FQ (reprint author), Chinese Acad Sci, State Key Lab High Temp Gas Dynam, Inst Mech, Beijing 100190, Peoples R China.
Source PublicationACTA MECHANICA SINICA
2015-10
Volume31Issue:5Pages:732-740
ISSN0567-7718
AbstractIn this paper, the methodology of the directed relation graph with error propagation and sensitivity analysis (DRGEPSA), proposed by Niemeyer et al. (Combust Flame 157: 1760-1770, 2010), and its differences to the original directed relation graph method are described. Using DRGEPSA, the detailed mechanism of ethylene containing 71 species and 395 reaction steps is reduced to several skeletal mechanisms with different error thresholds. The 25-species and 131-step mechanism and the 24-species and 115-step mechanism are found to be accurate for the predictions of ignition delay time and laminar flame speed. Although further reduction leads to a smaller skeletal mechanism with 19 species and 68 steps, it is no longer able to represent the correct reaction processes. With the DRGEPSA method, a detailed mechanism for n-dodecane considering low-temperature chemistry and containing 2115 species and 8157 steps is reduced to a much smaller mechanism with 249 species and 910 steps while retaining good accuracy. If considering only high-temperature (higher than 1000 K) applications, the detailed mechanism can be simplified to even smaller mechanisms with 65 species and 340 steps or 48 species and 220 steps. Furthermore, a detailed mechanism for a kerosene surrogate having 207 species and 1592 steps is reduced with various error thresholds and the results show that the 72-species and 429-step mechanism and the 66-species and 392-step mechanism are capable of predicting correct combustion properties compared to those of the detailed mechanism. It is well recognized that kinetic mechanisms can be effectively used in computations only after they are reduced to an acceptable size level for computation capacity and at the same time retaining accuracy. Thus, the skeletal mechanisms generated from the present work are expected to be useful for the application of kinetic mechanisms of hydrocarbons to numerical simulations of turbulent or supersonic combustion.
KeywordReduced Chemistry Hydrocarbons Directed Relation Graph Ignition Delay Time
DOI10.1007/s10409-015-0434-5
URL查看原文
Indexed BySCI ; EI ; CSCD
Language英语
WOS IDWOS:000364450700014
WOS KeywordDYNAMIC ADAPTIVE CHEMISTRY ; SUPERSONIC MODEL COMBUSTOR ; DIRECTED RELATION GRAPH ; SENSITIVITY-ANALYSIS ; KINETIC MECHANISMS ; CHEMICAL-KINETICS ; N-HEPTANE ; REDUCTION ; TABULATION ; IMPLEMENTATION
WOS Research AreaEngineering ; Mechanics
WOS SubjectEngineering, Mechanical ; Mechanics
Funding OrganizationThis work was supported by the National Natural Science Foundation of China (Grant 11172309). The authors would like to thank Professor Gong Yu of Chinese Academy of Sciences for his help in this work. Chih-Jen Sung is also supported by the China's Programme of Introducing Talents of Discipline to Universities-111 Project under Grant No. B08009 and the Thousand Talents Program.
DepartmentLHD高超声速推进技术
Classification二类
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Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/58384
Collection高温气体动力学国家重点实验室
Corresponding AuthorZhong, FQ (reprint author), Chinese Acad Sci, State Key Lab High Temp Gas Dynam, Inst Mech, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
Zhong FQ,Ma SG,Zhang XY,et al. Development of efficient and accurate skeletal mechanisms for hydrocarbon fuels and kerosene surrogate[J]. ACTA MECHANICA SINICA,2015,31(5):732-740.
APA 仲峰泉,Ma SG,张新宇,Sung CJ,Niemeyer KE,&Zhong, FQ .(2015).Development of efficient and accurate skeletal mechanisms for hydrocarbon fuels and kerosene surrogate.ACTA MECHANICA SINICA,31(5),732-740.
MLA 仲峰泉,et al."Development of efficient and accurate skeletal mechanisms for hydrocarbon fuels and kerosene surrogate".ACTA MECHANICA SINICA 31.5(2015):732-740.
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