LAUSR

Abstract All-atom MD simulation was conducted for the filling of epoxy resin into a nano-sized pore formed on aluminum surface. The resin species examined were polyphenol mixed with polyglycidylether of o-cresol formaldehyde novolac and their oligomers formed through ring-opening reactions. The degree of oligomerization was varied from 0.5 to 2.5 nm in terms of the radius of gyration, and the radius of the cylindrical pore was fixed at 2.5 nm. It was observed that a small resin penetrates into the pore along the wall, while larger resins move rather uniformly in the pore. The maximum density in the pore achieved with pushing was then seen to be larger when the resin is smaller. It was found that when the radius of gyration of resin is larger than half the pore radius, the resin density in the pore does not reach half the bulk density of the resin. This implies that the resin–resin interaction inhibits the filling of the nano-sized pore.