Role of Thermal History and Entanglement Related Thickness Selection in Polymer Crystallization
Role of Thermal History and Entanglement Related Thickness Selection in Polymer Crystallization
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DOI：
10.1021/acsmacrolett.5b00668
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发表时间：
2016-01-01
影响因子：
7.015
通讯作者：
Sommertt, Jens-Uwe
中科院分区：
文献类型：
--
作者：
Luo, Chuanfu;Sommertt, Jens-Uwe
分子动力学模拟和原始路径分析表明，与快速冷却条件下或冷结晶过程中的冷熔体相比，热缠绕聚合物熔体的结晶速度更快，结晶度更高，结晶茎更长。这种违反直觉的现象类似于在水中观察到的所谓的Mpemba效应，可以用纠缠的温度相关性来解释。我们的结果证明了纠缠态对结晶性质的关键作用，并为理解热历史的作用和解决聚合物结晶中的厚度选择这一悬而未决的问题提供了新的途径。
Using molecular dynamics simulations and primitive path analysis, we show that hot entangled polymer melts can crystallize faster with higher crystallinities and larger crystalline stem lengths, as compared to cold melts under rapid quenching conditions or during cold-crystallization. This counterintuitive phenomenon similar to the so-called Mpemba effect observed for water can be explained by the temperature dependence of entanglements. Our results demonstrate the key role of the entanglement state for crystallization properties and provide a new approach to understand the role of thermal history and to the open question of thickness selection in polymer crystallization.