Modelling of Glass Transition of PET and PEN by Molecular Dynamics
Usually some physical properties are necessary for thermal and mechanical simulations, by FEM simulations for example. In this paper we shall focus on the glass transition temperature that is known to be 40°C higher for PEN polymer than for PET. These polymers differ only by their aromatic ring. Models at atomic level can predict these properties. The Molecular Dynamics method is here used to predict Tg of PET and PEN and to compare the values to experimental values.
Bernard MONASSE, Michaël CHAILLY
Molecular Dynamics, Glass Transition, PET, PEN.