Next Article in Journal
Azetidinium Functionalized Polytetrahydrofurans: Antimicrobial Properties in Solution and Application to Prepare Non Leaching Antimicrobial Surfaces
Next Article in Special Issue
Development of a Biocompatible Layer-by-Layer Film System Using Aptamer Technology for Smart Material Applications
Previous Article in Journal / Special Issue
Structures and Synthesis of Zwitterionic Polymers
Article Menu

Export Article

Open AccessArticle
Polymers 2014, 6(5), 1602-1617; https://doi.org/10.3390/polym6051602

Structure of Microgels with Debye–Hückel Interactions

Theoretical Soft Matter and Biophysics, Institute for Advanced Simulation, Forschungszentrum Jülich, 52425 Jülich, Germany
*
Author to whom correspondence should be addressed.
Received: 31 March 2014 / Revised: 13 May 2014 / Accepted: 19 May 2014 / Published: 23 May 2014
(This article belongs to the Special Issue Polyelectrolytes 2014)
View Full-Text   |   Download PDF [1089 KB, uploaded 23 May 2014]   |  

Abstract

The structural properties of model microgel particles are investigated by molecular dynamics simulations applying a coarse-grained model. A microgel is comprised of a regular network of polymers internally connected by tetra-functional cross-links and with dangling ends at its surface. The self-avoiding polymers are modeled as bead-spring linear chains. Electrostatic interactions are taken into account by the Debye–Hückel potential. The microgels exhibit a quite uniform density under bad solvent conditions with a rather sharp surface. With increasing Debye length, structural inhomogeneities appear, their surface becomes fuzzy and, at very large Debye lengths, well defined again. Similarly, the polymer conformations change from a self-avoiding walk to a rod-like behavior. Thereby, the average polymer radius of gyration follows a scaling curve in terms of polymer length and persistence length, with an asymptotic rod-like behavior for swollen microgels and self-avoiding walk behavior for weakly swollen gel particles. View Full-Text
Keywords: microgel; swelling; computer simulation microgel; swelling; computer simulation
Figures

Graphical abstract

This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

Share & Cite This Article

MDPI and ACS Style

Kobayashi, H.; Winkler, R.G. Structure of Microgels with Debye–Hückel Interactions. Polymers 2014, 6, 1602-1617.

Show more citation formats Show less citations formats

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Polymers EISSN 2073-4360 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top