First principles study of polymer-metal-metal-oxide adhesion

D. A. Drabold, J. B. Adams, D. C. Anderson, J. Kieffer

Research output: Contribution to journalArticlepeer-review

11 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)55-63
Number of pages9
JournalThe Journal of Adhesion
Issue number1-2
StatePublished - Aug 1 1993
Externally publishedYes


  • alumina
  • aluminum
  • chemisorption
  • local
  • orbital quantum molecular dynamics
  • physisorption
  • polyethylene
  • surface
  • theory

ASJC Scopus subject areas

  • General Chemistry
  • Mechanics of Materials
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry


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