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Colloid and Polymer Science
Erschienen in: Colloid and Polymer Science 10/2019

07.09.2019 | Original Contribution

The features of poly (vinylimidazole) adsorption on gold surface: a molecular dynamics study

verfasst von: Ashot V. Meltonyan, Armen H. Poghosyan, Serzhik H. Sargsyan, Karine S. Margaryan, Aram A. Shahinyan

Erschienen in: Colloid and Polymer Science | Ausgabe 10/2019

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Abstract

The simulation of poly (vinylimidazole) (PVI) on Au {111} facet has been carried out to study the adsorption of polymer on gold surface. The molecular dynamics (MD) method has been utilized to get detailed information about the orientation of polymer on metal surface. Our results show that the polymer binds to gold surface via pyridinic nitrogen, and we found that the adsorbed nitrogen-gold distance is around 0.23 nm, which is in good agreement with existing data. The chemisorbed vinylimidazole molecules are mostly oriented perpendicular to gold surface, although the flat and slightly tilted configurational modes are also available. We obtained the adsorption energy value of ~ 59.8 kJ/mol−1, which fitted well with other existing data.
Vorheriger Artikel Polyacrylamide-polyaniline composites: the effect of crosslinking on thermal, swelling, porosity, crystallinity, and conductivity properties
Nächster Artikel PSMA-b-PNIPAM copolymer micelles with both a hydrophobic segment and a hydrophilic terminal group: synthesis, micelle formation, and characterization

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Metadaten
Titel
The features of poly (vinylimidazole) adsorption on gold surface: a molecular dynamics study
verfasst von
Ashot V. Meltonyan
Armen H. Poghosyan
Serzhik H. Sargsyan
Karine S. Margaryan
Aram A. Shahinyan
Publikationsdatum
07.09.2019
Verlag
Springer Berlin Heidelberg
Erschienen in
Colloid and Polymer Science / Ausgabe 10/2019
Print ISSN: 0303-402X
Elektronische ISSN: 1435-1536
DOI
https://doi.org/10.1007/s00396-019-04554-x

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