PPS-metal adhesion: A density functional theory-based study

Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Yoshihito Miyako, Masanori Naritomi

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)

Abstract

We investigate the adhesion of poly (phenylene sulfide) (PPS) on aluminum, copper, silver and gold through simulations involving PPS monomers and single metal atoms. Density functional theory based-total energy calculation results show that PPS binds best to aluminum through the sulfur end of the monomer. Although adhesion to copper is strongest in the other two schemes examined, the energy curves suggest that these may not proceed directly. The models involving silver in general showed the least affinity for PPS adhesion.

Original languageEnglish
Pages (from-to)405-408
Number of pages4
JournalSOLID STATE COMMUNICATIONS
Volume132
Issue number6
DOIs
Publication statusPublished - Nov 2004
Externally publishedYes

Keywords

  • A. Metals
  • A. Polymers and plastics
  • D. Adhesion
  • E. DFT calculations

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