Monte Carlo simulation on kinetic behavior of one-pot hyperbranched polymerization based on AA*+CB2
文献类型：期刊论文
| 作者 | Zhan J ; Lin Y ; Liu XH ; Li YS |
| 刊名 | science china-chemistry
 |
| 出版日期 | 2010 |
| 卷号 | 53期号:12页码:2481-2489 |
| 关键词 | A(2)+B-3 POLYCONDENSATION REACTIONS NETWORK FORMATION POLYMERS MONOMERS SIZE POLY(ESTER-AMIDE)S COPOLYMERIZATION CYCLIZATION COATINGS GELATION |
| ISSN号 | 1674-7291 |
| 通讯作者 | li ys |
| 中文摘要 | monte carlo simulation was applied to investigate the kinetic behavior of aa*+cb2 system. the algorithm consisted of two procedures to simulate the in-situ synthesis of ab(2)-like intermediate and the subsequent polymerization, respectively. in order to improve the accuracy of the prediction, the mobility distinction between different scale molecules in polymerization was taken into account by relating the reaction rate constants to the collision possibility of each pair of species. the feed ratio of initial monomers and the activity difference between the two functional groups within aa* were studied systematically to catch the essential features of the reaction. simulation results have revealed that the achievable maximum conversion primarily depends on the extent of the reactivity difference between a and a*-groups, and it is suggested that a*-group should be at least 10 times more active than a-group to achieve high number-average degree of polymerization. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000285366200008 |
| 公开日期 | 2012-04-25 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/43238]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhan J,Lin Y,Liu XH,et al. Monte Carlo simulation on kinetic behavior of one-pot hyperbranched polymerization based on AA*+CB2[J]. science china-chemistry,2010,53(12):2481-2489. |
| APA | Zhan J,Lin Y,Liu XH,&Li YS.(2010).Monte Carlo simulation on kinetic behavior of one-pot hyperbranched polymerization based on AA*+CB2.science china-chemistry,53(12),2481-2489. |
| MLA | Zhan J,et al."Monte Carlo simulation on kinetic behavior of one-pot hyperbranched polymerization based on AA*+CB2".science china-chemistry 53.12(2010):2481-2489. |
入库方式： OAI收割
来源：长春应用化学研究所
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