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Adsorption of Polymer-Grafted Nanoparticles on Curved Surfaces

Ozmaian, Aye and Coalson, Rob D. and Ozmaian, Masoumeh (2021) Adsorption of Polymer-Grafted Nanoparticles on Curved Surfaces. Chemistry, 3 (1). pp. 382-390. ISSN 2624-8549

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Nanometer-curved surfaces are abundant in biological systems as well as in nano-sized technologies. Properly functionalized polymer-grafted nanoparticles (PGNs) adhere to surfaces with different geometries and curvatures. This work explores some of the energetic and mechanical characteristics of the adhesion of PGNs to surfaces with positive, negative and zero curvatures using Coarse-Grained Molecular Dynamics (CGMD) simulations. Our calculated free energies of binding of the PGN to the curved and flat surfaces as a function of separation distance show that curvature of the surface critically impacts the adhesion strength. We find that the flat surface is the most adhesive, and the concave surface is the least adhesive surface. This somewhat counterintuitive finding suggests that while a bare nanoparticle is more likely to adhere to a positively curved surface than a flat surface, grafting polymer chains to the nanoparticle surface inverts this behavior. Moreover, we studied the rheological behavior of PGN upon separation from the flat and curved surfaces under external pulling force. The results presented herein can be exploited in drug delivery and self-assembly applications.


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Item Type: Article
Status: Published
CreatorsEmailPitt UsernameORCID
Ozmaian, Aye
Coalson, Rob D.robc@pitt.edurobc
Ozmaian, Masoumeh
Date: 8 March 2021
Date Type: Publication
Journal or Publication Title: Chemistry
Volume: 3
Number: 1
Publisher: MDPI AG
Page Range: pp. 382-390
DOI or Unique Handle: 10.3390/chemistry3010028
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Refereed: Yes
Uncontrolled Keywords: adhesion, self-assembly, drug delivery, curved surface, template-assisted self-assembly, nanotechnology
ISSN: 2624-8549
Official URL:
Article Type: Research Article
Date Deposited: 09 Jul 2021 18:54
Last Modified: 09 Jul 2021 18:54


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