Analysis of Polymer Crystallization with a Multiscale Modeling Approach

Abstract

The main objective of the presented work is to describe the crystallization kinetics of semi-crystalline thermoplastics with a multiscale model implemented into the COMSOL software and the in-house developed code SphäroSim. The filling and cooling simulations, implemented by using the computational fluid dynamics (CFD) and heat transfer (HT) modules of COMSOL, require the simultaneous solution of non-Newtonian multi-phase flow (polymer/air) and thermal fields in non-isothermal condition and transient regime. The simulation results are collected, converted into the OpenSource file format VTK (Visualization Toolkit) and transferred to the SphäroSim code after a matching operation with the COMSOL mesh. The SphäroSim code uses COMSOL results as input data to compute crystallization kinetics, using the COMSOL data as boundary conditions in the microstructure simulation. This allows the time resolved calculation of the crystallization process and a prediction of the final microstructure in the part which can be used in further simulations such as a structural analysis. The analytical parameters needed to connect crystallization kinetics with molecular material properties and applying the analytical scheme to the numerical simulation during filling and cooling in an injection moulding process are identified.