Experimental and Theoretical Study on the Pyrolysis Mechanism of Three Coal-Based Model Compounds
文献类型：期刊论文
| 作者 | Li, Gang1,2; Li, Lu1,2; Shi, Lei2; Jin, Lijun1; Tang, Zichao2; Fan, Hongjun2; Hu, Haoquan1 |
| 刊名 | energy & fuels
 |
| 出版日期 | 2014-02-01 |
| 卷号 | 28期号:2页码:980-986 |
| 通讯作者 | 唐紫超 ; 樊红军 ; 胡浩权 |
| 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. |
| WOS标题词 | science & technology ; technology |
| 学科主题 | 物理化学 |
| 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 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000331861800028 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/144543]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 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 |
| 推荐引用方式 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.,...&Hu, Haoquan.(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. |
入库方式： OAI收割
来源：大连化学物理研究所
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