Variable trends of chain-folding in separate stages of strain-induced crystallization of bulk polymers

Variable trends of chain-folding in separate stages of strain-induced crystallization of bulk polymers
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本体聚合物应变诱导结晶不同阶段链折叠的变化趋势

DOI:
10.1016/j.polymer.2014.01.034
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发表时间:
2014-03
期刊:
影响因子:
4.6
通讯作者:
Hu, Wenbing
Hu, Wenbing
中科院分区:
化学2区
文献类型:
--
作者:
Nie, Yijing;Gao, Huanhuan;Hu, Wenbing

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我们进行了动态Monte Carlo模拟的等温结晶的本体聚合物在高温下,这是由一个均匀的拉伸与恒定的应变速率在很宽的应变范围内。我们观察到在三个连续的应变区域中,微晶呈现不同的链折叠趋势,揭示了应变诱导聚合物结晶的分级机制:在第一区域,零星的拉伸链段在高应变下引发分子间晶体成核,链折叠较少;在第三区域中,这些折叠的链通过熔融-重结晶过程延伸,在较高应变下也具有较少的链折叠。晶体成核和生长之间的链折叠的不同趋势出现内在的,并最终导致串晶。我们的观察提供了一个分子水平的理论基础,以了解各种实验现象的加工取向半结晶聚合物。
We performed dynamic Monte Carlo simulations of isothermal crystallization of bulk polymers at a high temperature, which was induced by a homogeneous stretching with a constant strain rate over a wide range of strains. We observed that the crystallites exhibit variable trends of chain folding in three sequential regions of strains, revealing hierarchical mechanisms of strain-induced polymer crystallization: in the first region, sporadic stretched segments initiate intermolecular crystal nucleation with less chain folding at higher strains; in the second region, massive less-stretched segments perform crystal growth with more chain folding at higher strains; in the third region, those folded chains extend via a melting-recrystallization process, again with less chain folding at higher strains. Different trends of chain-folding between crystal nucleation and growth appear intrinsic and ultimately lead to shish-kebab crystals. Our observations provided a molecular-level rationale to understand various experimental phenomena upon the processing for oriented semi-crystalline polymers.
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