Molecular dynamic study of radiation-moisture aging effects on the interface properties of nano-silica/silicone rubber composites

Abstract The influence of radiation-moisture aging on the thermodynamic and interface properties nano-silica/silicone rubber (PDMS) composites was investigated using molecular dynamics simulation. deterioration polymer matrix incorporated into PDMS-silica models based hydrolysis products dominant role cross-linking over chain scission. results indicate that long-chain structure with higher weight stronger intermolecular interactions are formed by incorporating multi-chain more hydroxyl groups. coupling effects enhance binding strength between silica PDMS owing to formation hydrogen bonds, restrict diffusion mobility chains water molecules. facilitates molecules adsorb surface form eventually weakens bonding silica-PDMS interface.