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Polymers 2017, 9(12), 699; https://doi.org/10.3390/polym9120699

Macro-Micro Simulation for Polymer Crystallization in Couette Flow

1
School of Mathematics and Statistics, Henan University of Science and Technology, Luoyang 471023, China
2
College of Vehicle & Motive Power Engineering, Henan University of Science and Technology, Luoyang 471023, China
*
Author to whom correspondence should be addressed.
Received: 15 November 2017 / Revised: 7 December 2017 / Accepted: 8 December 2017 / Published: 11 December 2017
(This article belongs to the Special Issue Phase Behavior in Polymers)
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Abstract

Polymer crystallization in manufacturing is a process where quiescent crystallization and flow-induced crystallization coexists, and heat/mass transfer on a macroscopic level interacts with crystal morphology evolution on a microscopic level. Previous numerical studies on polymer crystallization are mostly concentrated at a single scale; they only calculate macroscale parameters, e.g., temperature and relative crystallinity, or they only predict microstructure details, e.g., crystal morphology and mean size of crystals. The multi-scale numerical works that overcome these disadvantages are unfortunately based on quiescent crystallization, in which flow effects are neglected. The objective of this work is to build up a macro-micro model and a macro-micro algorithm to consider both the thermal and flow effects on the crystallization. Our macro-micro model couples two parts: mass and heat transfer of polymeric flow at the macroscopic level, and nucleation and growth of spherulites and shish-kebabs at the microscopic level. Our macro-micro algorithm is a hybrid finite volume/Monte Carlo method, in which the finite volume method is used at the macroscopic level to calculate the flow and temperature fields, while the Monte Carlo method is used at the microscopic level to capture the development of spherulites and shish-kebabs. The macro-micro model and the macro-micro algorithm are applied to simulate polymer crystallization in Couette flow. The effects of shear rate, shear time, and wall temperature on the crystal morphology and crystallization kinetics are also discussed. View Full-Text
Keywords: macro-micro simulation; flow-induced crystallization; Monte Carlo method; crystal morphology macro-micro simulation; flow-induced crystallization; Monte Carlo method; crystal morphology
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).
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Ruan, C.; Liang, K.; Liu, E. Macro-Micro Simulation for Polymer Crystallization in Couette Flow. Polymers 2017, 9, 699.

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