Fiber Network Formation in Semi-Flexible Polymer Solutions: An Exploratory Computational Study

Published

March 22, 2018

Author(s)

Jack F. Douglas, Luis F. Vargas Lara

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

Douglas, J. and Vargas, L. (2018), Fiber Network Formation in Semi-Flexible Polymer Solutions: An Exploratory Computational Study, Gels- (Accessed May 7, 2024)