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

• المؤلفون الرئيسيون: David, Melanie Y., Roman, Tanglaw, Nakanishi, Hiroshi, Kasai, Hideaki, Ando, Naoki, Naritomi, Masanori
• التنسيق: text
• منشور في: Animo Repository 2006
• الموضوعات: Density functionals; Polybutenes; Aluminum; Adhesion; Physics
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/6772
• المؤسسة: 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...