Theoretical study of the alternative structure of copolymer ligands and activity comparison of copolymer ligands
文献类型：期刊论文
| 作者 | Li, L; Wang, ZX; Wang, XJ; Yuan, GQ |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 1998 |
| 卷号 | 56期号:8页码:747-754 |
| 关键词 | Copolymer Ligand Ased-mo Method Monte-carlo Simulation Alternative Structure |
| ISSN号 | 0567-7351 |
| 英文摘要 | A theoritical study of the alternative structure of copolymer ligands of catalyst for carbonylation of methanol to acetic acid has been carried out in terms of the ASED-MO method and Monte Carlo method. AA,AB,BB,BA reaction pathways were calculated and energy barriers were determined. Based on the supposition of the preexponent factor of rate constants being equal, the reactivity ratios r(1) and r(2) were obtained. The copolymer structure was simulated and caculate the ratio of active AB segment in the copolymer molecular chains was caulated. The relative activity of copolymer ligand consisted of different two units was compared. The effect of temperature change and the feed ratio x, on the ratio of AB in the molecular chains was also discussed. |
| 语种 | 英语 |
| WOS记录号 | WOS:000075592400004 |
| 出版者 | ACTA CHIMICA SINICA |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/74745]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Li, L |
| 作者单位 | 1.Beijing Univ Chem Technol, Beijing 100029, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, L,Wang, ZX,Wang, XJ,et al. Theoretical study of the alternative structure of copolymer ligands and activity comparison of copolymer ligands[J]. ACTA CHIMICA SINICA,1998,56(8):747-754. |
| APA | Li, L,Wang, ZX,Wang, XJ,&Yuan, GQ.(1998).Theoretical study of the alternative structure of copolymer ligands and activity comparison of copolymer ligands.ACTA CHIMICA SINICA,56(8),747-754. |
| MLA | Li, L,et al."Theoretical study of the alternative structure of copolymer ligands and activity comparison of copolymer ligands".ACTA CHIMICA SINICA 56.8(1998):747-754. |
入库方式： OAI收割
来源：化学研究所
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