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学科主题物理化学
Experimental and Theoretical Study on the Pyrolysis Mechanism of Three Coal-Based Model Compounds
Li, Gang1,2; Li, Lu1,2; Shi, Lei2; Jin, Lijun1; Tang, Zichao2; Fan, Hongjun2; Hu, Haoquan1; Tang ZC(唐紫超); Fan HJ(樊红军); Hu HQ(胡浩权)
刊名ENERGY & FUELS
2014-02-01
DOI10.1021/ef402273t
28期:2页:980-986
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Technology
类目[WOS]Energy & Fuels ; Engineering, Chemical
研究领域[WOS]Energy & Fuels ; Engineering
关键词[WOS]AROMATIC-HYDROCARBON FORMATION ; LOW-TEMPERATURE THERMOLYSIS ; THERMAL-DECOMPOSITION ; RING EXPANSION ; SHOCK-WAVES ; AB-INITIO ; KINETICS ; ANISOLE ; PHOTOIONIZATION ; REACTIVITY
英文摘要An experimental study of three coal-based model compound (anisole, phenyl ethyl ether, and p-methyl anisole) pyrolysis was carried out at low pressure (below 50 Pa) within the temperature range from 573 to 1323 K. The pyrolysis process was investigated by detecting the reactants, radicals, and products using vacuum ultraviolet single-photon ionization time-of-flight mass spectrometry. The similarities and differences of three model compounds in the pyrolysis process were discussed. The results suggested that the radical reactions were dominant in the pyrolysis process at higher temperatures, whereas the intermolecular reactions were significant at lower temperatures. beta-H was a key factor for the non-radical reactions. The PhO-C homolytic bond scission was the first step for the radical reaction. Substituents on the benzene ring play an important role in the pyrolysis process of phenyl ethers, which can directly form conjugated stable structure compounds. These observations were supported by our theoretical calculation at the mPW2PLYP level.
语种英语
WOS记录号WOS:000331861800028
引用统计
被引频次:17[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/144543
专题中国科学院大连化学物理研究所
通讯作者Tang ZC(唐紫超); Fan HJ(樊红军); Hu HQ(胡浩权)
作者单位1.Dalian Univ Technol, Inst Coal Chem Engn, Sch Chem Engn, State Key Lab Fine Chem, Dalian 116024, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
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GB/T 7714
Li, Gang,Li, Lu,Shi, Lei,et al. Experimental and Theoretical Study on the Pyrolysis Mechanism of Three Coal-Based Model Compounds[J]. ENERGY & FUELS,2014,28(2):980-986.
APA Li, Gang.,Li, Lu.,Shi, Lei.,Jin, Lijun.,Tang, Zichao.,...&胡浩权.(2014).Experimental and Theoretical Study on the Pyrolysis Mechanism of Three Coal-Based Model Compounds.ENERGY & FUELS,28(2),980-986.
MLA Li, Gang,et al."Experimental and Theoretical Study on the Pyrolysis Mechanism of Three Coal-Based Model Compounds".ENERGY & FUELS 28.2(2014):980-986.
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