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Probing into the Epitaxial Crystallization of beta Form Isotactic Polypropylene: From Experimental Observations to Molecular Mechanics Computation
Wang, Zefan1,2; Yang, Wenhong1; Liu, Guoming1; Mueller, Alejandro J.3,4,5; Zhao, Ying1; Dong, Xia1,2; Wang, Kezhi6; Wang, Dujin1,2
2017-03-01
Source PublicationJOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
Volume55Issue:5Pages:418-424
AbstractCompared with the most stable crystalline form of isotactic polypropylene (alpha-iPP), beta-iPP shows superior impact strength and high temperature performance, though the mechanism of how the frustrated structure of beta-iPP is formed still remains unclear. In present work, the single crystal structure of a traditional beta-iPP nucleating agent, N, N '-dicyclohexylterephthalamide (DCHT), was obtained for the first time and correlated with the epitaxial crystallization of beta-iPP on the surface of DCHT crystal. The combination of synchrotron radiation X-ray microdiffraction and molecular chain packing model confirmed that a two dimensional match of chain-axis and inter-chain direction coexists between beta-iPP (110) plane and DCHT (001) plane. It was further found that an epitaxial model is helpful to understand the formation of the frustrated structure of 31 helices packing in beta-iPP. The molecular mechanics computation showed that as the (001) plane of DCHT is fixed, the packing mode of beta-iPP (110) plane on the substrate surface is more stable than that of alpha-iPP (010) plane. This work clarifies the epitaxial crystallization mechanism of beta-iPP on DCHT by employing both experimental and computational evidences. (C) 2017 Wiley Periodicals, Inc.
KeywordAlpha-ipp Crystal Structures Epitaxial Crystallization Molecular Mechanics Nucleation
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/38262
Collection工程塑料实验室
Affiliation1.Chinese Acad Sci, Inst Chem, CAS Key Lab Engn Plast, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Univ Basque Country, UPV EHU, Fac Chem, POLYMAT, Paseo Manuel de Lardizabal 3, Donostia San Sebastian 20018, Spain
4.Univ Basque Country, UPV EHU, Fac Chem, Polymer Sci & Technol Dept, Paseo Manuel de Lardizabal 3, Donostia San Sebastian 20018, Spain
5.Basque Fdn Sci, Ikerbasque, Bilbao, Spain
6.Shanxi Chem Res Inst, Taiyuan 030021, Peoples R China
Recommended Citation
GB/T 7714
Wang, Zefan,Yang, Wenhong,Liu, Guoming,et al. Probing into the Epitaxial Crystallization of beta Form Isotactic Polypropylene: From Experimental Observations to Molecular Mechanics Computation[J]. JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS,2017,55(5):418-424.
APA Wang, Zefan.,Yang, Wenhong.,Liu, Guoming.,Mueller, Alejandro J..,Zhao, Ying.,...&Wang, Dujin.(2017).Probing into the Epitaxial Crystallization of beta Form Isotactic Polypropylene: From Experimental Observations to Molecular Mechanics Computation.JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS,55(5),418-424.
MLA Wang, Zefan,et al."Probing into the Epitaxial Crystallization of beta Form Isotactic Polypropylene: From Experimental Observations to Molecular Mechanics Computation".JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS 55.5(2017):418-424.
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