The Effect of Network Solvation on the Viscoelastic Response of Polymer Hydrogels

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F17%3APU124911" target="_blank" >RIV/00216305:26620/17:PU124911 - isvavai.cz</a>

Result on the web

<a href="http://www.mdpi.com/2073-4360/9/8/379/htm" target="_blank" >http://www.mdpi.com/2073-4360/9/8/379/htm</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/polym9080379" target="_blank" >10.3390/polym9080379</a>

Result language

angličtina

Original language name

The Effect of Network Solvation on the Viscoelastic Response of Polymer Hydrogels

Original language description

The majority of investigations consider the deformation response of hydrogels, fully controlled by the deformation behavior of their polymer network, neglecting the contribution caused by the presence of water. Here, we use molecular dynamics simulation in an attempt to include the effect of physically bound water via polymer chain solvation on the viscoelastic response of hydrogels. Our model allows us to control the solvation of chains as an independent variable. The solvation of the chain is independent of other factors, mainly the effect (pH) which interferes significantly in experiments. The solvation of hydrophilic chains was controlled by setting a partial charge on the chains and quantified by the Bjerrum length (BL). The BL was calculated from the partial electric charge of the solvent and macromolecular network. When the BL is short, the repulsive Van der Waals interactions are predominant in the vicinity of macromolecules and solvation is not observed. For a long BL, the water molecules in the solvation zone of network are in the same range as attractive intermolecular forces and the solvation occurs. The model also allows the consideration of molecules of water attached to two chains simultaneously, forming a temporary bridging. By elucidating the relations between solvation of the network and structural changes during the network deformation, one may predict the viscoelastic properties of hydrogels knowing the molecular structure of its polymer chains.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10404 - Polymer science

Project

<a href="/en/project/GA15-18495S" target="_blank" >GA15-18495S: Mechanisms and kinetics of NP self-assembly in hierarchical polymer composites</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2017

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Polymers

ISSN

2073-4360

e-ISSN

—

Volume of the periodical

9

Issue of the periodical within the volume

8

Country of publishing house

CH - SWITZERLAND

Number of pages

22

Pages from-to

1-22

UT code for WoS article

000408747000075

EID of the result in the Scopus database

2-s2.0-85027582868