Prediction of the glass transition temperatures for epoxy resins and blends using group interaction modelling

Application of modern simulation methods for the prediction of the engineering properties of polymeric materials may be a substitute for more time consuming experiments. The principles of molecular modelling have been combined with group interaction modelling (GIM) for the prediction of properties of thermoset resins. The glass transition temperature of the systems was predicted from the chemical structure of the resins and the effect of different hardeners on Tg was assessed. Different chemical reaction mechanisms which occur during resin cure were incorporated into the model for better predictions. A new set of expanded GIM equations include one for determination of model input parameters from the conventional modelling principles for the estimate of Tg. Differential scanning calorimetry (DSC) and dynamic mechanical thermal analysis (DMTA) experimental values of degree of cure and glass transition temperature were used to provide comparative analysis for the computations.