2015 Volume 51 Issue 3 Pages 80-88
Mechanisms of the adhesion between poly（p-phenylene sulfide）［PPS］and epoxy resin are investigatedby using molecular dynamics（MD）calculations. Amorphous cell models are constructed forPPS and epoxy resin. A possible oxidized structure of PPS after plasma treatment is also consideredto study roles of surface modification. Structures of the adhesion interface are obtained after MDsimulations. Van der Waals force works as a primary force between untreated PPS and epoxy resin,while electrostatic interaction is very weak. Oxygen-containing polar groups of PPS strengthens theelectrostatic interaction between PPS and epoxy resin, which efficiently enhances the binding energyof the adhesion interface. Breaking mechanisms of the adhesion interface are investigated by stepwiseseparations of the interface. Adhesive forces are theoretically calculated by the derivative of theenergy-displacement curves. Computational results clearly show that the interfacial biding and adhesiveforce are enhanced by the introduction of functional groups of PPS.
