For green tires, monofunctionalization of rubber has been extensively studied to enhance the interface between rubber and silica. However, the effect of chain difunctionalization has not been reported. In this work, the difunctionalized styrene-butadiene rubber (SBR-DF) was first prepared by grafting small molecules with different functional groups (3-mercaptopropionic acid, 3-mercaptoethanol, and mercaptosilane) to end-group functionalized SBR through thiol-ene click reaction. Then, the molecular dynamics simulation was adopted to calculate the interaction energy between SBR-DF and silica. The results showed that the chain difunctionalization can significantly increase the interfacial interaction energy between them, which was further validated by using RPA and SEM. Moreover, the introduced siloxane groups in the rubber chain can greatly improve the interfacial interaction energy by more than 20%, which can achieve the uniform dispersion of silica. As a result, the SBR-DF/Silica composites showed the excellent dynamic mechanical properties, such as high wet slip resistance (21% increase), low rolling resistance (23% reduction) and high wear resistance (20% reduction). As a result, the energy consumption of SBR-DF/Silica composites was reduced, which endowed green tires with excellent safety. In summary, this work provides a new and effective strategy for manufacturing the energy-saving, green and safe design of “green tires”.
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