Douglas, J.
and Vargas, L.
(2018),
Fiber Network Formation in Semi-Flexible Polymer Solutions: An Exploratory Computational Study, Gels-
(Accessed January 15, 2025)
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
Fiber Network Formation in Semi-Flexible Polymer Solutions: An Exploratory Computational Study
Published
Author(s)
,
Abstract
The formation of gels through the bundling of semi-flexible polymer chains into fiber networks is ubiquitous in diverse manufactured and natural materials, and, accordingly, we perform exploratory molecular dynamics simulations of a coarse-grained model of semi-flexible polymers in solution having attractive lateral interactions to understand essential features of this type of gel formation. After showing that our model gives rise to fibrous gels resembling real gels of this kind, we investigate how the extent of fiber bundling influences the melting temperature, Tm, and the emergent rigidification of model bundled fibers having a fixed number of chains N within them. Based on our preliminary observations, we suggest the fiber size is kinetically selected by a reduced thermodynamic driving force and a slowing of the dynamics within the fibers associated with their progressive rigidification with the inclusion of an increasing number of chains in the bundle.Citation
Gels-
Pub Type
Journals
Keywords
gels, semi-flexible polymers, bundling, fiber network, melting, rigidity
Citation
Issues
If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.
Created March 22, 2018, Updated April 24, 2020