Effects of cross-linking degree and steric hindrance on the thermal degradation behavior of novel hybrid zirconium-silicone resin

Although silicone resins are commonly seen as popular candidates for heat-resistant applications, the severe weight loss at the temperature from 400 to 800 °C remains a challenge. Herein, we reported a strategy to enhance the thermal resistance by introducing Zr into the main chain. Molecular simulation shows the Zr atoms led to the formation of high energy Zr–O bonds and increased the cross-linking degree which in turn suppressed the formation of cyclic oligomers , the results was further supported by TG-IR. The degradation activation energy was increased from 75.26 (ZAS0) to 88.67 kJ/mol (ZAS5) for the major degradation stage. The degradation kinetics study shows the degradation of ZAS5 followed the cylindrical symmetrical three-dimensional diffusion mechanism (n = 1.5). This work could provide a systemic experimental and theoretical foundation for thermal properties enhancement through metal atoms incorporation.