quantumchemistrystudiesonthefreeradicalgrowthmechanismofpolycyclicarenesfrombenzeneprecursors
文献类型：期刊论文
| 作者 | LING Lixia2; ZHANG Riguang2; WANG Baojun2; TIAN Yajun1 |
| 刊名 | chinesejournalofchemicalengineering
 |
| 出版日期 | 2009 |
| 卷号 | 17期号:3页码:394 |
| ISSN号 | 1004-9541 |
| 英文摘要 | The 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. |
| 语种 | 英语 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/37363]  |
| 专题 | 中国科学院过程工程研究所 |
| 作者单位 | 1.中国科学院过程工程研究所 2.太原理工大学 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：过程工程研究所
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