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.
Monte Carlo method is used to capture the evolution of spherulites and shish-kebabs and to predict the crystallization kinetics in isothermal polymer crystallization. Effects of nucleation density and growth rate of spherulites, nucleation density, and length growth rate of shish-kebabs, respectively, on crystallization are investigated. Results show that nucleation densities of both spherulites and shish-kebabs strongly affect crystallization rate as well as morphology. An increase in nucleation density of either spherulites or shish-kebabs leads to a quicker crystallization rate and a smaller average spherulite size. It is also shown that nucleation density of shish-kebabs has a stronger impact on crystallization rate. Growth rate of spherulites and length growth rate of shish-kebabs also have significant effect on crystallization rate and morphology. An increase in growth rate of spherulites or length growth rate of shish-kebabs also speeds up the crystallization rate; additionally, a decrease in growth rate of spherulites or an increase in length growth rate of shish-kebabs results in a more highly anisotropic shish-kebab structure and a smaller average size of spherulites. Results also show that the effect of growth rate of spherulites is more important than the effect of length growth rate of shish-kebabs on crystallization.
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