Surface dynamics and hydrophobicity of high-voltage insulator polymers

Using large-scale, all-atom molecular dynamics simulations, we show that microscopic mechanisms found for molecules on the material surface of siloxane polymers can explain an important surface-hydrophobicity restoration process. In particular, a net orientation and polarization on the surface can be found which is the result of an augmented motion of certain molecules. Based on this result, surface hydrophobicity, its loss through oxidation, andits restoration through a unique interaction between cyclomethicone molecules, oxidized methyl groups, andcounterions can be understood. © 2013 Materials Research Society.