Flow-induced nucleation in polymer melts: a study of the GO model for pure and bimodal blends, under shear and extensional flow
Flow-induced nucleation in polymer melts: a study of the GO model for pure and bimodal blends, under shear and extensional flow
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聚合物熔体中的流动诱导成核：剪切和拉伸流动下纯共混物和双峰共混物的 GO 模型研究
DOI：
10.1007/s00397-012-0663-5
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发表时间：
2012
期刊：
影响因子：
2.3
通讯作者：
Jolley K
中科院分区：
文献类型：
--
作者：
Jolley K
我们提出了一种快速重新缩放算法，可以对聚合物熔体流动诱导成核的 Graham 和 Olmsted (GO) 模型（Graham 和 Olmsted, Phys Rev Lett 103(11): 115702, 2009）与流动聚合物熔体的直接成核速率测量进行系统比较。我们考虑由纯长链和长链和短链的双峰混合物组成的聚合物熔体。我们通过使用加速成核算法来模拟在各种施加的剪切和拉伸流下各种自由能垒的成核速率。然后，我们开发了一种半分析技术来有效计算单分散熔体流动下的成核速率。我们使用重新调整参考数据的方法将我们的方法扩展到双峰混合。这使我们能够将 GO 模型与在几个不同温度下实验测量的成核速率进行比较。 GO 模型能够一致地解释温度对流动诱导成核的影响。我们的模型还将有助于推导计算成本低廉的聚合物中流动诱导成核的分子模型。
We present a rapid rescaling algorithm that enables a systematic comparison between the Graham and Olmsted (GO) model for flow-induced nucleation of polymer melts (Graham and Olmsted, Phys Rev Lett 103(11): 115702, 2009) and direct nucleation rate measurements from a flowing polymer melt. We consider polymer melts consisting of pure long chains and bimodal blends of long and short chains. We simulate the nucleation rate for a wide range of free energy barriers under a wide range of applied shear and extensional flows by using an accelerated nucleation algorithm. We then develop a semi-analytical technique to compute efficiently the nucleation rate under flow for monodisperse melts. We extend our approach to bimodal blends using a method to rescale reference data. This allows us to compare the GO model to experimentally measured nucleation rates at several different temperatures. The GO model is able to consistently account for the effect of temperature on flow-induced nucleation. Our modelling will also contribute to the derivation of computationally inexpensive molecular models of flow-induced nucleation in polymers.
影响因子：
3.4
作者：
Graham, Richard S.;Bent, Julian;McLeish, Tom C. B.
通讯作者：
McLeish, Tom C. B.