Modeling morphology evolution and mechanical behavior during thermo-mechanical processing of semi-crystalline polymers

A new model is proposed that combines statistical mechanics and thermodynamic aspects to characterize orientation development, nucleation and growth of crystallites, and chain entanglement slippage with interdependent relationships necessary to accurately correlate and in some cases predict the morphology and mechanical behavior of semi-crystalline polymers during various thermo-mechanical processes in the rubbery state, close to the glass transition temperature. Internal state variables (ISVs) that directly represent the underlying microstructure state are used to characterize polymer morphology and the resulting properties throughout deformation. The model uses fundamental thermodynamic coefficients for polyethylene terephthalate (PET) and is correlated to experimental data at various strain rates and temperatures just above the glass transition temperature. Experimental data are used that measure the stress, amorphous orientation, and crystallinity during uniaxial deformation of PET. The model is found to correlate well to these experimental data. (c) 2005 Elsevier Ltd. All rights reserved.