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通过多尺度模拟研究聚合物结晶的“皮-芯-皮”结构

"Skin-Core-Skin" Structure of Polymer Crystallization Investigated by Multiscale Simulation.

作者信息

Ruan Chunlei

机构信息

School of Mathematics and Statistics, Henan University of Science and Technology, Luoyang 471023, China.

出版信息

Materials (Basel). 2018 Apr 16;11(4):610. doi: 10.3390/ma11040610.

Abstract

“Skin-core-skin” structure is a typical crystal morphology in injection products. Previous numerical works have rarely focused on crystal evolution; rather, they have mostly been based on the prediction of temperature distribution or crystallization kinetics. The aim of this work was to achieve the “skin-core-skin” structure and investigate the role of external flow and temperature fields on crystal morphology. Therefore, the multiscale algorithm was extended to the simulation of polymer crystallization in a pipe flow. The multiscale algorithm contains two parts: a collocated finite volume method at the macroscopic level and a morphological Monte Carlo method at the microscopic level. The SIMPLE (semi-implicit method for pressure linked equations) algorithm was used to calculate the polymeric model at the macroscopic level, while the Monte Carlo method with stochastic birth-growth process of spherulites and shish-kebabs was used at the microscopic level. Results show that our algorithm is valid to predict “skin-core-skin” structure, and the initial melt temperature and the maximum velocity of melt at the inlet mainly affects the morphology of shish-kebabs.

摘要

“皮-芯-皮”结构是注塑制品中一种典型的晶体形态。以往的数值模拟工作很少关注晶体的演变;相反,它们大多基于温度分布或结晶动力学的预测。这项工作的目的是实现“皮-芯-皮”结构,并研究外部流动和温度场对晶体形态的作用。因此,将多尺度算法扩展到管流中聚合物结晶的模拟。多尺度算法包含两部分:宏观层面的同位有限体积法和微观层面的形态学蒙特卡罗方法。在宏观层面使用SIMPLE(压力耦合方程的半隐式方法)算法来计算聚合物模型,而在微观层面使用具有球晶和串晶随机生核-生长过程的蒙特卡罗方法。结果表明,我们的算法对于预测“皮-芯-皮”结构是有效的,并且初始熔体温度和入口处熔体的最大速度主要影响串晶的形态。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e74b/5951494/b92b67ab2f98/materials-11-00610-g001.jpg

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