Monte Carlo simulation on kinetic behavior of one-pot hyperbranched polymerization based on AA*+CB2

doi:10.1007/s11426-010-4151-4

CORC > 化学研究所 > 中国科学院化学研究所

	*Monte Carlo simulation on kinetic behavior of one-pot hyperbranched polymerization based on AA+CB2**
	Zhan Jie ; Lin Ying ; Liu XiaoHui ; Li YueSheng 1
刊名	SCIENCE CHINA-CHEMISTRY
	2010-12-01
卷号	53 期号:12 页码:2481-2489
关键词	Monte Carlo Hyperbranched Kinetic aa*+cb2
ISSN号	1674-7291
DOI	10.1007/s11426-010-4151-4
英文摘要	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.
语种	英语
出版者	SCIENCE PRESS
WOS记录号	WOS:000285366200008
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/70073]
专题	中国科学院化学研究所
通讯作者	Li YueSheng
作者单位	1.Chinese Acad Sci, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China 2.Chinese Acad Sci, Changchun Inst Appl Chem, Changchun 130022, Peoples R China
推荐引用方式 GB/T 7714	Zhan Jie,Lin Ying,Liu XiaoHui,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 Jie,Lin Ying,Liu XiaoHui,&Li YueSheng.(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 Jie,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.