A density functional theory-based investigation of adhesion of poly(butylene terephthalate) on aluminum

• Main Authors: David, Melanie Y., Roman, Tanglaw, Nakanishi, Hiroshi, Kasai, Hideaki, Ando, Naoki, Naritomi, Masanori
• Format: text
• Published: Animo Repository 2006
• Subjects: Density functionals; Polybutenes; Aluminum; Adhesion; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/6772
• Institution: De La Salle University

We investigate the adhesion of PBT on aluminum using density functional theory-based calculations. The geometric structure of the PBT monomer is first relaxed then an aluminum atom is connected to the monomer in different orientations. We calculate their total energies and determine the orientation...