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Monte carlo study of degenerate behavior of ab diblock copolymer/nanoparticle under cylindrical confinement

文献类型：期刊论文

作者Wang, Yingying1,2,3; Han, Yuanyuan1; Cui, Jie1; Jiang, Wei1; Sun, Yingchun2
刊名Langmuir
出版日期2016-08-23
卷号32期号:33页码:8484-8493
ISSN号0743-7463
DOI10.1021/acs.langmuir.6b01090
通讯作者Han, yuanyuan(yyhan@ciac.ac.cn) ; Cui, jie(jcui@ciac.ac.cn)
英文摘要Degenerate behavior (i.e., forming different self-assembled structures for a given block copolymer (bcp) under the same confinement) commonly exists in various confined systems. understanding degenerate behavior is crucial for precise control over the structures formed by self-assembly systems under confinement. in this study, the degenerate behavior of a self-assembled ab diblock copolymer/nanoparticle (np) mixture in a cylindrical pore is studied using monte carlo simulation. we find that the degenerate behavior of such a mixture depends on the introduction of the np. under different pore sizes, four typical degenerate structures [i.e., single helices (s-helices), double helices (d-helices), parallel cylinders, and stacked toroids] can be obtained if the np content is zero. however, when the np content in the mixture is increased, it is found that the number of degenerate structures decreases, that is, only blocky structures can be obtained in the case of high np content. moreover, the probability of forming s-helices decreases, whereas the probability of forming d-helices increases with increase in the np content. analysis of the interactive enthalpy densities and the chain conformation of the systems indicates that entropy plays an important role in the degenerate structure formation. this study provides some new insights into the degenerate behavior of a bcp/np mixture under confinement, which can offer a theoretical reference for further experiments.
WOS关键词MOLECULAR-DYNAMICS SIMULATION ; BLOCK-COPOLYMERS ; THIN-FILMS ; NANOPARTICLE LOCATION ; GOLD NANOPARTICLES ; STRUCTURAL TRANSFORMATION ; PHASE-SEPARATION ; MORPHOLOGIES ; MIXTURES ; ASSEMBLIES
WOS研究方向Chemistry ; Materials Science
WOS类目Chemistry, Multidisciplinary ; Chemistry, Physical ; Materials Science, Multidisciplinary
语种英语
WOS记录号WOS:000381959200022
出版者AMER CHEMICAL SOC
URI标识http://www.irgrid.ac.cn/handle/1471x/2374378
专题中国科学院大学
通讯作者Han, Yuanyuan; Cui, Jie
作者单位1.Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Jilin, Peoples R China
2.Northeast Normal Univ, Sch Phys, Changchun 130024, Jilin, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式
GB/T 7714		 Wang, Yingying,Han, Yuanyuan,Cui, Jie,et al. Monte carlo study of degenerate behavior of ab diblock copolymer/nanoparticle under cylindrical confinement[J]. Langmuir,2016,32(33):8484-8493.
APA Wang, Yingying,Han, Yuanyuan,Cui, Jie,Jiang, Wei,&Sun, Yingchun.(2016).Monte carlo study of degenerate behavior of ab diblock copolymer/nanoparticle under cylindrical confinement.Langmuir,32(33),8484-8493.
MLA Wang, Yingying,et al."Monte carlo study of degenerate behavior of ab diblock copolymer/nanoparticle under cylindrical confinement".Langmuir 32.33(2016):8484-8493.

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