Progress on Prediction of Mechanical Properties of Linear Polymers

DAMIÁN PALOMBA; GUSTAVO E. VAZQUEZ; MÓNICA F. DIAZ

Buenos Aires

Simposio; X Simposio Argentino de Polímeros (SAP 2013); 2013

Comité organizador X Simposio Argentino de Polímeros (SAP 2013)

Any engineering activity is dependent on a careful selection between materials in order to satisfy requirements of performance and/or cost. In this regard, polymers have been modified to improve their utility and consequently synthetic polymers were developed. While the typical approach in the design of new materials has been empirical, at present the ability to predict material properties previous synthesis has been included and it has led to tremendous savings in time and cost. Nevertheless, it is not easy to achieve these predictions since the variables involved are very complex. In this paper we present results about prediction of elongation at break for a group of amorphous synthetic and linear polymers by means the QSPR (Quantitative Structure-Property Relationship) technique. Simplified molecular models were designed in order to depict polymers and also new descriptors were proposed. A new QSPR model is introduced providing a tool for the design of materials with specific application profile.