Binary Blends of Silicone Rubber and Ethylene Acrylate Rubber Based on Materials Studio: Compatibility Prediction, Preparation and Properties Characterization

ABSTRACT Silicone rubber (MVQ) has been extensively applied in aerospace, transportation, medical, and healthcare sectors due to its distinctive molecular structure and unparalleled functional capabilities. However, the limited mechanical properties of silicone rubber restrict its application. Since ethylene acrylate rubber (AEM) has good mechanical properties, this study expects that the addition of ethylene acrylate rubber (AEM) can significantly improve the mechanical properties of silicone rubber, but the phase solubility between MVQ and AEM as well as the morphology of the binary blends is still unclear. Therefore, this study employed molecular dynamics simulations and mesoscopic dynamics simulations to analyze the solubility parameters and Flory–Huggins interaction parameters, binding energies, fractional free volumes, and mesoscopic morphologies of the blends, thus evaluating the compatibility of the binary blends. The simulation results were further validated by a series of characterizations of MVQ and AEM binary blends, confirming the achievable partial compatibility between MVQ and AEM. Combining all the properties, the best balance of performance of the blended binder is achieved at 70–30 wt% of MVQ, with better compatibility of the AEM/MVQ blended system. A new research idea is provided to improve the mechanical properties of silicone rubber.