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quantumchemistrystudiesonthefreeradicalgrowthmechanismofpolycyclicarenesfrombenzeneprecursors
LING Lixia1; ZHANG Riguang1; WANG Baojun1; TIAN Yajun2
2009
Source Publicationchinesejournalofchemicalengineering
ISSN1004-9541
Volume17Issue:3Pages:394
AbstractThe free-radical growth mechanisms for the formation of polycyclic arenes (PCAs) were constructed based on the block unit of benzene, and were calculated by the quantum chemistry PM3 method. Two kinds of reaction paths are proposed and discussed. The calculation results show that the formation of PCAs is only controlled by the elimination of H atom from benzene, and the corresponding activation energy is 307.60 kJ.mol(-1). H-2 is only the effluent gas in our proposed reaction mechanism, and the calculation results are in accord with the experimental facts.
Language英语
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/37364
Collection中国科学院过程工程研究所
Affiliation1.太原理工大学
2.中国科学院过程工程研究所
Recommended Citation
GB/T 7714
LING Lixia,ZHANG Riguang,WANG Baojun,et al. quantumchemistrystudiesonthefreeradicalgrowthmechanismofpolycyclicarenesfrombenzeneprecursors[J]. chinesejournalofchemicalengineering,2009,17(3):394.
APA LING Lixia,ZHANG Riguang,WANG Baojun,&TIAN Yajun.(2009).quantumchemistrystudiesonthefreeradicalgrowthmechanismofpolycyclicarenesfrombenzeneprecursors.chinesejournalofchemicalengineering,17(3),394.
MLA LING Lixia,et al."quantumchemistrystudiesonthefreeradicalgrowthmechanismofpolycyclicarenesfrombenzeneprecursors".chinesejournalofchemicalengineering 17.3(2009):394.
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