화학공학소재연구정보센터
Journal of Adhesion, Vol.42, No.1, 55-63, 1993
1ST PRINCIPLES STUDY OF POLYMER-METAL-METAL-OXIDE ADHESION
Ab initio, local orbital quantum molecular dynamics is used to study the binding of molecules and polymers to an aluminum and amorphous alumina surface. Specific examples are methane, ethylene, polyethylene and a poly(methyl-methacrylate) (PMMA) monomer on Al and PMMA on alumina. The hydrocarbons exhibit very little binding to Al, while we find that a clean Al surface strips the carbonyl oxygen from PMMA. For PMMA on alumina, a strong chemical bond is formed between the carbonyl group of PMMA and surface Al atoms for the alumina surface.