Cargando…
Interactions between Sterically Stabilized Nanoparticles: The Effects of Brush Bidispersity and Chain Stiffness
Density Functional Theory is employed to study structural properties and interactions between solvent-free polymer-grafted nanoparticles. Both monodisperse and bidisperse polymer brushes with variable chain stiffness are considered. The three major control parameters are the grafting density, the gr...
Autor principal: | |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8309298/ https://www.ncbi.nlm.nih.gov/pubmed/34301054 http://dx.doi.org/10.3390/polym13142296 |
_version_ | 1783728490483286016 |
---|---|
author | Egorov, Sergei A. |
author_facet | Egorov, Sergei A. |
author_sort | Egorov, Sergei A. |
collection | PubMed |
description | Density Functional Theory is employed to study structural properties and interactions between solvent-free polymer-grafted nanoparticles. Both monodisperse and bidisperse polymer brushes with variable chain stiffness are considered. The three major control parameters are the grafting density, the grafted chain length, and its stiffness. The effect of these parameters on the brush-brush overlap and attractive interaction strength is analyzed. The Density Functional Theory results are compared with the available simulation data, and good quantitative agreement is found. |
format | Online Article Text |
id | pubmed-8309298 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-83092982021-07-25 Interactions between Sterically Stabilized Nanoparticles: The Effects of Brush Bidispersity and Chain Stiffness Egorov, Sergei A. Polymers (Basel) Article Density Functional Theory is employed to study structural properties and interactions between solvent-free polymer-grafted nanoparticles. Both monodisperse and bidisperse polymer brushes with variable chain stiffness are considered. The three major control parameters are the grafting density, the grafted chain length, and its stiffness. The effect of these parameters on the brush-brush overlap and attractive interaction strength is analyzed. The Density Functional Theory results are compared with the available simulation data, and good quantitative agreement is found. MDPI 2021-07-13 /pmc/articles/PMC8309298/ /pubmed/34301054 http://dx.doi.org/10.3390/polym13142296 Text en © 2021 by the author. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Egorov, Sergei A. Interactions between Sterically Stabilized Nanoparticles: The Effects of Brush Bidispersity and Chain Stiffness |
title | Interactions between Sterically Stabilized Nanoparticles: The Effects of Brush Bidispersity and Chain Stiffness |
title_full | Interactions between Sterically Stabilized Nanoparticles: The Effects of Brush Bidispersity and Chain Stiffness |
title_fullStr | Interactions between Sterically Stabilized Nanoparticles: The Effects of Brush Bidispersity and Chain Stiffness |
title_full_unstemmed | Interactions between Sterically Stabilized Nanoparticles: The Effects of Brush Bidispersity and Chain Stiffness |
title_short | Interactions between Sterically Stabilized Nanoparticles: The Effects of Brush Bidispersity and Chain Stiffness |
title_sort | interactions between sterically stabilized nanoparticles: the effects of brush bidispersity and chain stiffness |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8309298/ https://www.ncbi.nlm.nih.gov/pubmed/34301054 http://dx.doi.org/10.3390/polym13142296 |
work_keys_str_mv | AT egorovsergeia interactionsbetweenstericallystabilizednanoparticlestheeffectsofbrushbidispersityandchainstiffness |