A skeletal n-butane mechanism with integrated simplification method

doi:10.1016/j.joei.2020.01.018

GIEC OpenIR

	A skeletal n-butane mechanism with integrated simplification method
	Li, Fan 1,2; Yang, Haolin2,3,4 ; Jiang, Liqiao2,3,4 ; Huo, Jiepeng 2,3,4,5; Wang, Xiaohan2,3,4 ; Zhao, Daiqing2,3,4
	2020-08-01
发表期刊	JOURNAL OF THE ENERGY INSTITUTE
ISSN	1743-9671
卷号	93 期号:4 页码:1559-1570
通讯作者	Yang, Haolin(yanghl@ms.giec.ac.cn) ; Zhao, Daiqing(zhaodq@ms.giec.ac.cn)
摘要	A new skeletal mechanism of n-butane is developed for describing its ignition and combustion characteristics applicable over a wide range of conditions: initial temperature 690-1430 K, pressure 1-30 atm, and equivalence ratio 0.5-2.0. Starting with a detailed chemical reaction kinetic model of 230 species and 1328 reactions (Healy et al., Combust. Flame, 2010), the directed relation graph method is applied as the first step to derive a semi-detailed mechanism with 134 species. Then, the reaction path analysis in conjunction with temperature sensitivity analysis is used to remove the redundant species and reaction paths simultaneously under the condition of low-temperature and moderate-to-high temperatures, respectively. Finally, a skeletal n-butane mechanism consisting of 86 species and 373 reactions can be obtained. Mechanism validation indicates that the new developed skeletal mechanism is in good agreement with the detailed mechanism in predicting the global ignition and combustion characteristics. The new skeletal mechanism is further validated using extensive available literature data including rapid pressure machine ignition delay time, shock-tube ignition delay time, laminar flame speed, and jet-stirred reaction oxidation, covering a large range of temperatures, pressures, and equivalence ratios. The comparison results demonstrate that a satisfactory agreement between predictions and experimental measurements is achieved. (C) 2020 Energy Institute. Published by Elsevier Ltd. All rights reserved.
关键词	n-Butane fuel Skeletal mechanism Directed relation graph method Reaction path analysis Sensitivity analysis
DOI	10.1016/j.joei.2020.01.018
关键词[WOS]	LAMINAR FLAME SPEEDS ; IGNITION DELAY TIMES ; BURNING VELOCITY ; SHOCK-TUBE ; HYDROGEN ADDITION ; COMBUSTION ; TEMPERATURE ; HYDROCARBON ; OXIDATION ; PRESSURE
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[51006109] ; National Natural Science Foundation of China[51336010] ; National Basic Research Program of China (973 program)[2014CB239601]
WOS研究方向	Energy & Fuels
项目资助者	National Natural Science Foundation of China ; National Basic Research Program of China (973 program)
WOS类目	Energy & Fuels
WOS记录号	WOS:000539488400031
出版者	ELSEVIER SCI LTD
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.giec.ac.cn/handle/344007/27239
专题	中国科学院广州能源研究所
通讯作者	Yang, Haolin; Zhao, Daiqing
作者单位	1.Nanjing Univ Aeronaut & Astronaut, Coll Energy & Power Engn, Nanjing 210016, Peoples R China 2.Chinese Acad Sci, Guangzhou Inst Energy Convers, 2 Nengyuan Rd, Guangzhou 510640, Peoples R China 3.Chinese Acad Sci, Key Lab Renewable Energy, Guangzhou 510640, Peoples R China 4.Guangdong Prov Key Lab New & Renewable Energy Res, Guangzhou 510640, Peoples R China 5.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
第一作者单位	中国科学院广州能源研究所
推荐引用方式 GB/T 7714	Li, Fan,Yang, Haolin,Jiang, Liqiao,et al. A skeletal n-butane mechanism with integrated simplification method[J]. JOURNAL OF THE ENERGY INSTITUTE,2020,93(4):1559-1570.
APA	Li, Fan,Yang, Haolin,Jiang, Liqiao,Huo, Jiepeng,Wang, Xiaohan,&Zhao, Daiqing.(2020).A skeletal n-butane mechanism with integrated simplification method.JOURNAL OF THE ENERGY INSTITUTE,93(4),1559-1570.
MLA	Li, Fan,et al."A skeletal n-butane mechanism with integrated simplification method".JOURNAL OF THE ENERGY INSTITUTE 93.4(2020):1559-1570.