A simple model for the barrier properties of brushes with an arbitrary chain length distribution
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Published version
Author(s)
Smook, Leon A
de Beer, Sissi
Angioletti-Uberti, Stefano
Type
Journal Article
Abstract
Polymer brushes can form protective barriers on surfaces, reducing fouling and adsorption of foreign entities. Predicting how the properties of such surfaces depend on physical brush parameters has technological implications for the applications of these coatings. However, most theoretical models require in-depth knowledge or advanced mathematical and computational skills, which prevents their broad use. Here, we present a simple model extending the Alexander–De Gennes ansatz for arbitrary chain length distributions, allowing us to easily rationalize the effect of polydispersity, which is a feature of all realistic brushes. This model can predict the interaction of a brush with nanoparticles or an opposing wall, as demonstrated by good qualitative agreement with molecular dynamics simulations. An open-source Python implementation of our model is freely available on GitHub, and the model allows for efficient screening of brush designs to reach technological applications.
Date Issued
2025-09-07
Date Acceptance
2025-08-06
Citation
Journal of Chemical Physics, 2025, 163 (9)
ISSN
0021-9606
Publisher
American Institute of Physics
Journal / Book Title
Journal of Chemical Physics
Volume
163
Issue
9
Copyright Statement
© 2025 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
License URL
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/40891572
PII: 3361135
Subjects
Chemistry
Chemistry, Physical
DYNAMICS
FORCES
FREE-ENERGY
NANOPARTICLES
Physical Sciences
Physics
Physics, Atomic, Molecular & Chemical
POLYMER BRUSHES
Science & Technology
Publication Status
Published
Coverage Spatial
United States
Article Number
094901
Date Publish Online
2025-09-02