Publication detail

Dynamic behavior of acrylic acid clusters as quasi-mobile nodes in a model of hydrogel network.

ŽÍDEK, J. MILCHEV, A. VILGIS, T.

Original Title

Dynamic behavior of acrylic acid clusters as quasi-mobile nodes in a model of hydrogel network.

Type

journal article - other

Language

English

Original Abstract

Using a molecular dynamics simulation, we study the thermo-mechanical behavior of a model hydrogel subject to deformation and change in temperature. The model is found to describe qualitatively poly-lactide-glycolide hydrogels in which acrylic acid (AA)-groups are believed to play the role of quasi-mobile nodes in the formation of a network. From our extensive analysis of the structure, formation, and disintegration of the AA-groups, we are able to elucidate the relationship between structure and viscous-elastic behavior of the model hydrogel. Thus, in qualitative agreement with observations, we find a softening of the mechanical response at large deformations, which is enhanced by growing temperature. Several observables as the non-affinity parameter A and the network rearrangement parameter V indicate the existence of a (temperature-dependent) threshold degree of deformation beyond which the quasi-elastic response of the model system turns over into plastic (ductile) one. The critical stretching when the affinity of the deformation is lost can be clearly located in terms of A and V as well as by analysis of the energy density of the system. The observed stress-strain relationship matches that of known experimental systems.

Keywords

hydrogel, molecular dynamics, plastic deformation, network, nodes

Authors

ŽÍDEK, J.; MILCHEV, A.; VILGIS, T.

RIV year

2012

Released

28. 12. 2012

ISBN

0021-9606

Periodical

The Journal of Chemical Physics

Year of study

137

Number

24

State

United States of America

Pages from

244908

Pages to

244908

Pages count

8

BibTex

@article{BUT99266,
  author="Jan {Žídek} and Andrey {Milchev} and Thomas {Vilgis}",
  title="Dynamic behavior of acrylic acid clusters as quasi-mobile nodes in a model of hydrogel network.",
  journal="The Journal of Chemical Physics",
  year="2012",
  volume="137",
  number="24",
  pages="244908--244908",
  issn="0021-9606"
}