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

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

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...

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Bibliographic Details
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
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Institution: De La Salle University
Description
Summary: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 orientation. The binding is strongest when the Al is oriented at 180° to the ester group of the monomer. Using this orientation as a basis, PBT adhesion on Ti, Ag, and Au is also investigated. © 2006 IOP Publishing Ltd.

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