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题名: Experimental and Theoretical Investigation on Three alpha,omega-Diarylalkane Pyrolysis
作者: Li, Gang1, 2;  Li, Lu1, 2;  Jin, Lijun1;  Tang, Zichao2;  Fan, Hongjun2;  Hu, Haoquan1
刊名: ENERGY & FUELS
发表日期: 2014-11-01
DOI: 10.1021/ef502012b
卷: 28, 期:11, 页:6905-6910
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
英文摘要: Pyrolysis of three alpha,omega-diarylalkane compounds (biphenyl, diphenylmethane, and bibenzyl) was performed below 30 Pa between 573 and 1473 K. Vacuum ultraviolet single-photon ionization time-of-flight mass spectrometry was used to detect the reactants, radicals, and products. The relative concentration profiles of the pyrolysis species were estimated by a semi-quantitative analysis method. Experimental results indicated that the length of the CC bridge bond plays an influential role in cracking of corresponding bonds in the alpha,omega-diarylalkane pyrolysis process. The CH bond scission is dominant in pyrolysis of diphenylmethane at low temperatures, while the CC bond scission competes with it when the temperature increases. The symmetrical homolysis of bibenzyl is a dominant reaction at low temperatures and will compete with the unsymmertrical cleavage reaction with increase of the temperature. In addition, the formation mechanism of fluorene, which plays a significant role in polycyclic aromatic hydrocarbon generation, during diphenylmethane pyrolysis was discussed by combining the experimental observation with the theoretical calculation. The theoretical calculation supported these experimental results at the mPW2PLYP level.
关键词[WOS]: MODEL COMPOUNDS ;  COAL PYROLYSIS ;  THERMOLYSIS ;  BIBENZYL ;  SURFACE ;  REACTIVITY ;  CHEMISTRY ;  BIPHENYL ;  RADICALS ;  HYDROGEN
语种: 英语
WOS记录号: WOS:000345469300024
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145651
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Dalian Univ Technol, Sch Chem Engn, Inst Coal Chem Engn, State Key Lab Fine Chem, Dalian 116024, Liaoning, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China

Recommended Citation:
Li, Gang,Li, Lu,Jin, Lijun,et al. Experimental and Theoretical Investigation on Three alpha,omega-Diarylalkane Pyrolysis[J]. ENERGY & FUELS,2014,28(11):6905-6910.
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