Kinetic step-growth polymerization: A dissipative particle dynamics simulation study

doi:10.1063/1.4999050

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	Kinetic step-growth polymerization: A dissipative particle dynamics simulation study
	Xu, Dan 1; Ni, Chun-Yan 2; Zhu, You-Liang 3; Lu, Zhong-Yuan 4; Xue, Yao-Hong 5; Liu, Hong 4,6
刊名	JOURNAL OF CHEMICAL PHYSICS
	2018-01-14
卷号	148 期号:2
ISSN号	0021-9606
DOI	10.1063/1.4999050
英文摘要	Kinetic step-growth polymerization is studied by dissipative particle dynamics coupled with our previously developed reaction algorithm on a coarse-grained level. The simulation result proves that this step-growth polymerization obeys the second-order reaction kinetics. We apply this algorithm to study the step-growth polymerization using the subunits with different flexibilities or within confinement. Good agreement of the number fraction distributions with the Flory distribution is obtained, implying that this algorithm is reasonable to describe such a kind of step-growth polymerization. This algorithm can further supply a convenient platform for simulating typical step-growth polymerization in reactive polymer systems. Published by AIP Publishing.
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000422966900031
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/45363]
专题	中国科学院化学研究所
通讯作者	Liu, Hong
作者单位	1.Jilin Univ, Inst Theoret Chem, Lab Theoret & Computat Chem, Changchun 130023, Jilin, Peoples R China 2.Canc Hosp Jilin Prov, Dept Anesthesiol, Huguang Rd 1018, Changchun 130012, Jilin, Peoples R China 3.Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Jilin, Peoples R China 4.Jilin Univ, Inst Theoret Chem, State Key Lab Supramol Struct & Mat, Lab Theoret & Computat Chem, Changchun 130021, Jilin, Peoples R China 5.Changchun Univ Sci & Technol, Sch Comp Sci & Technol, Changchun 130022, Jilin, Peoples R China 6.Tech Univ, Eduard Zintl Inst Anorgan & Phys Chem, D-64287 Darmstadt, Germany
推荐引用方式 GB/T 7714	Xu, Dan,Ni, Chun-Yan,Zhu, You-Liang,et al. Kinetic step-growth polymerization: A dissipative particle dynamics simulation study[J]. JOURNAL OF CHEMICAL PHYSICS,2018,148(2).
APA	Xu, Dan,Ni, Chun-Yan,Zhu, You-Liang,Lu, Zhong-Yuan,Xue, Yao-Hong,&Liu, Hong.(2018).Kinetic step-growth polymerization: A dissipative particle dynamics simulation study.JOURNAL OF CHEMICAL PHYSICS,148(2).
MLA	Xu, Dan,et al."Kinetic step-growth polymerization: A dissipative particle dynamics simulation study".JOURNAL OF CHEMICAL PHYSICS 148.2(2018).