کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5183160 | 1381010 | 2012 | 9 صفحه PDF | دانلود رایگان |
We report a detailed comparison between molecular dynamics predictions and experimental results for a wide range of thermo-mechanical properties of an epoxy resin system: diglycidyl ether of bisphenol A (DGEBA) cured with 3,3â² diamino-diphenyl sulfone (33DDS). A set of carefully designed and characterized experiments provides validation data for the simulations that predict the molecular structure and properties of the thermoset. Our results show that current state-of-the-art molecular dynamics simulations provide quantitative predictions for this epoxy system in its glassy state, including elastic moduli, coefficient of thermal expansion and specific heat. The glass transition temperature is also accurately predicted once a correction is included to account for the difference in cooling rates between the simulations and experiments. Our results also indicate that viscoelastic and thermal properties of the thermoset polymer in its rubbery state are more challenging to predict since the effect of timescales is not well understood.
Journal: Polymer - Volume 53, Issue 19, 31 August 2012, Pages 4222-4230