Dynamic mechanical response of hybrid physical covalent networks - molecular dynamics simulation

Dynamic mechanical response of hybrid physical covalent networks - molecular dynamics simulation

Abstrakt

Hybrid physically-covalently crosslinked gels became attractive materials due to their im-proved toughness in comparison to classic physical gels. Their deformation behavior is most-ly not predictable as the covalent bonds do not contribute additively to the deformation behavior of physical network. Moreover, the addition of covalent crosslinks mostly changes also nature of physical crosslinks in real hydrogels. It is difficult to distinguish effect of cova-lent bonds from other structural changes. We present a set of molecular models with almost identical atomistic configuration which differ only in concentration of covalent bonds. We investigated mechanical behavior of a model of hybrid hydrogels in which the ratio between the number of physical and chemical cross-links was varying in range 0 – 3 covalent cross-links per one physical crosslink (cpc). It was found that only a small amount of chemical cross-links (cpc = 0.36) leads to significant changes in the mechanical behavior hydrogel.

Hybrid physically-covalently crosslinked gels became attractive materials due to their im-proved toughness in comparison to classic physical gels. Their deformation behavior is most-ly not predictable as the covalent bonds do not contribute additively to the deformation behavior of physical network. Moreover, the addition of covalent crosslinks mostly changes also nature of physical crosslinks in real hydrogels. It is difficult to distinguish effect of cova-lent bonds from other structural changes. We present a set of molecular models with almost identical atomistic configuration which differ only in concentration of covalent bonds. We investigated mechanical behavior of a model of hybrid hydrogels in which the ratio between the number of physical and chemical cross-links was varying in range 0 – 3 covalent cross-links per one physical crosslink (cpc). It was found that only a small amount of chemical cross-links (cpc = 0.36) leads to significant changes in the mechanical behavior hydrogel.

hydrogel, molecular dynamics, deformation, dynmaic mechanical, network

hydrogel, molecular dynamics, deformation, dynmaic mechanical, network

ŽÍDEK, J.; MILCHEV, A.; JANČÁŘ, J.; VILGIS, T.

2017

15.06.2016

Hochschule Merseburg

Merseburg, Německo

Polymertec, sborník abstraktů

39

39

1

http://www.polymertec.de/en/polymertec-2016/