Molecular Simulation of Adsorption Mechanism of Silicone Rubber Interfacial Systems

Abstract

The adsorption mechanisms of silicone rubber (SR)-stainless steel (SS) interfacial system and silicone rubber-HMX interfacial system were studied by molecular simulation method in the present paper. The molecular simulation results revealed that silicone rubber-stainless steel interface has obvious adsorption effect, while silicone rubber-HMX interface has certain adsorption effect. The systematic potential energy calculation results revealed that coulomb interaction and van de waals interaction might be the major microscopic adsorption mechanism for silicone rubber-stainless steel interfacial system and silicone rubber-HMX interfacial system.