Polymer, Vol.38, No.17, 4305-4310, 1997
The Application of Molecular Simulation to the Rational Design of New Materials .2. Prediction of the Physicomechanical in Properties of Linear Epoxy Systems
Molecular simulation was used to calculate the physico-mechanical properties of a linear epoxy system. Values of glass transition temperature (T-g) compare well with experiments as did elastic moduli. A correlation between hydrogen-bonding energy and T-g was derived indicating the importance of hydrogenbonding in this system.
Keywords:IMIDAZOLE-METAL-COMPLEXES;RESINS