Simulation framework for crystallization in melt flows of semi-crystalline polymers based on phenomenological models.

Polymer components are shaped mostly out of the molten state. As in the case of semi-crystalline polymers, crystallization can be suppressed by shock cooling, thermal process design allows to influence the solid bodies properties. A simulation approach that enables to predict these properties based on a forecast of crystallinity is presented in this paper. The main effects to consider and possibilities of modeling and simulation are discussed. A detailed description of how to create an experimental foundation using dynamic scanning calorimetry (DSC) and a rheometer is provided. Suppression of crystallization is modeled by a novel phenomenological approach, based on data over a large band of cooling rates. Special focus is put on parameter identification and extension of insufficient DSC data. The mechanical behavior is modeled using a weighted approach based on a nonlinear-thermoviscoelastic model for the molten state and a highly viscous Newtonian model for the solid state. Parameterization of both models is highlighted. An implementation in OpenFOAM is documented, emphasizing specific methods that were applied. Results of simulations for a simplified profile extrusion and injection molding case are presented. Basic relationships are forecasted correctly by the method, and important findings are presented for both processes. [ABSTRACT FROM AUTHOR]