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

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

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 mo...

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Bibliographic Details
Main Authors: Roman, Tanglaw, Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki, Miyako, Yoshihito, Naritomi, Masanori
Format: text
Published: Animo Repository 2004
Subjects:
Metals
Adhesion
Polymers
Physics
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/1235
https://animorepository.dlsu.edu.ph/context/faculty_research/article/2234/type/native/viewcontent
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Institution: De La Salle University
Description
Summary: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. © 2004 Elsevier Ltd. All rights reserved.

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