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- W2568911963 abstract "ABSTRACT Compared with the most stable crystalline form of isotactic polypropylene (α‐iPP), β‐iPP shows superior impact strength and high temperature performance, though the mechanism of how the frustrated structure of β‐iPP is formed still remains unclear. In present work, the single crystal structure of a traditional β‐iPP nucleating agent, N , N ′‐dicyclohexylterephthalamide (DCHT), was obtained for the first time and correlated with the epitaxial crystallization of β‐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 β‐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 3 1 helices packing in β‐iPP. The molecular mechanics computation showed that as the (001) plane of DCHT is fixed, the packing mode of β‐iPP (110) plane on the substrate surface is more stable than that of α‐iPP (010) plane. This work clarifies the epitaxial crystallization mechanism of β‐iPP on DCHT by employing both experimental and computational evidences. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017 , 55 , 418–424" @default.
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- W2568911963 date "2017-01-04" @default.
- W2568911963 modified "2023-10-16" @default.
- W2568911963 title "Probing into the epitaxial crystallization of β form isotactic polypropylene: From experimental observations to molecular mechanics computation" @default.
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- W2568911963 doi "https://doi.org/10.1002/polb.24293" @default.
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