Polybutylene terephthalate on metals: A density functional theory and cluster models investigation

• Main Authors: David, Melanie, Roman, Tanglaw, Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki, Ando, Naoki, Naritomi, Masanori
• Format: text
• Published: Animo Repository 2006
• Subjects: Aluminum; Binding energy; Esters; Gold; Monomers; Polybutenes; Density functionals; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3802; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4804/type/native/viewcontent/002.html
• Institution: De La Salle University

The strength of adhesion of polybutylene terephthalate (PBT) on aluminium is investigated using density functional theory-based energy calculations. The aluminium atom is connected to a PBT monomer at different orientations, and total energies are calculated and compared to determine the most stable...