Quantum Chemical investigation of electronics effect impact on epoxies thermal properties - QSPR model of thermal degradation of some diglycidyl ether bisphenol derivatives / diamine system

In this work we present the development of a new Quantitative Structure Property Relationship (QSPR) model combining the results of solving the time independent Schrodinger equation for the electrons of molecular systems as a function of the positions of the nuclei and thermal properties of some epoxies (DGEBA, DGDDP, DGETBBA and DGEDDS) in the objective to predict thermal properties of other similar bifunctional epoxy resins. This computational study is carried through the calculation of quantum parameters linking the electronic effects to properties of studied molecules structures. Subsequently we validate the obtained QSPR model by comparing the predicted theoretical results to experimental of thermal degradation of the studied serial of compounds.