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Crystals 2017, 7(2), 51; doi:10.3390/cryst7020051

Kinetics and Morphology of Flow Induced Polymer Crystallization in 3D Shear Flow Investigated by Monte Carlo Simulation

School of Mathematics and Statistics, Henan University of Science and Technology, Luoyang 471023, China
Academic Editor: Hiroki Nada
Received: 2 January 2017 / Revised: 8 February 2017 / Accepted: 8 February 2017 / Published: 11 February 2017
(This article belongs to the Special Issue Advances in Computer Simulation Studies on Crystal Growth)
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Abstract

To explore the kinetics and morphology of flow induced crystallization of polymers, a nucleation-growth evolution model for spherulites and shish-kebabs is built based on Schneider rate model and Eder model. The model considers that the spherulites are thermally induced, growing like spheres, while the shish-kebabs are flow induced, growing like cylinders, with the first normal stress difference of crystallizing system being the driving force for the nucleation of shish-kebabs. A two-phase suspension model is introduced to describe the crystallizing system, which Finitely Extensible Non-linear Elastic-Peterlin (FENE-P) model and rigid dumbbell model are used to describe amorphous phase and semi-crystalline phase, respectively. Morphological Monte Carlo method is presented to simulate the polymer crystallization in 3D simple shear flow. Roles of shear rate, shear time and shear strain on the crystallization kinetics, morphology, and rheology are analyzed. Numerical results show that crystallization kinetics, morphology and rheology in shear flow are qualitatively in agreement with the theoretical, experimental and other numerical works which verifies the validity and effectiveness of our model and algorithm. To our knowledge, this is the first time that a model and an algorithm revealing the details of crystal morphology have been applied to the flow induced crystallization of polymers. View Full-Text
Keywords: polymer crystallization; flow induced crystallization; Morphological Monte Carlo simulation; shish-kebabs polymer crystallization; flow induced crystallization; Morphological Monte Carlo simulation; shish-kebabs
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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. Kinetics and Morphology of Flow Induced Polymer Crystallization in 3D Shear Flow Investigated by Monte Carlo Simulation. Crystals 2017, 7, 51.

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