Δημοσιεύσεις

Project Acronym: GOPOLY
Title: Molecular dynamics simulations of conductive hydrogels based on graphite oxide and poly(acrylic acid)
Affiliation: aristotle university of thessaloniki
Pi: Konstantinos Karatasos
Research Field: chemical sciences and materials

A microscopic view of graphene-oxide/poly(acrylic acid) physical hydrogels: effects of polymer charge and graphene oxide loading
by Karatasos, Konstantinos and Kritikos, Georgios
Abstract:
In this work we have examined in detail by means of fully atomistic molecular dynamics simulations, physical hydrogels formed by a polymer electrolyte, poly(acrylic acid), and graphene oxide, at two different charging states of the polymer and two different graphene oxide concentrations. It was found that variation of these parameters incurred drastic changes in the general morphological characteristics of the composite materials, in the degree of physical adsorption of the polyelectrolyte chains onto the graphene oxide surface, in the polymer dynamic response at local and global lengthscales, in the charge distributions around the components and in the mobility of the counterions. All these microscopic features are expected to affect significantly macroscopic physical properties of the hydrogels, such as their mechanical response and their electrical behavior.
Reference:
A microscopic view of graphene-oxide/poly(acrylic acid) physical hydrogels: effects of polymer charge and graphene oxide loading (Karatasos, Konstantinos and Kritikos, Georgios), In Soft Matter, The Royal Society of Chemistry, 2017.
Bibtex Entry:
@article{C7SM02305G,
 author = {Karatasos, Konstantinos and Kritikos, Georgios},
 title = {A microscopic view of graphene-oxide/poly(acrylic acid) physical hydrogels: effects of polymer charge and graphene oxide loading},
 journal = {Soft Matter},
 year = {2017},
 bibyear = {2017},
 pages = {-},
 publisher = {The Royal Society of Chemistry},
 doi = {10.1039/C7SM02305G},
 url = {http://dx.doi.org/10.1039/C7SM02305G},
 abstract = {In this work we have examined in detail by means of fully atomistic molecular dynamics simulations{,} physical hydrogels formed by a polymer electrolyte{,} poly(acrylic acid){,} and graphene oxide{,} at two different charging states of the polymer and two different graphene oxide concentrations. It was found that variation of these parameters incurred drastic changes in the general morphological characteristics of the composite materials{,} in the degree of physical adsorption of the polyelectrolyte chains onto the graphene oxide surface{,} in the polymer dynamic response at local and global lengthscales{,} in the charge distributions around the components and in the mobility of the counterions. All these microscopic features are expected to affect significantly macroscopic physical properties of the hydrogels{,} such as their mechanical response and their electrical behavior.},
}