Abstract
Despite their inability to model bond breaking molecular dynamics simulations are shown to predict thermal degradation temperatures of polycyanurate (cyanate ester) homopolymers and nanocomposites in very close agreement with experimental data. Simulated polymer density, used to predict T also shows a reduction within the same temperature range as experimental values for the thermal degradation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.