Tailoring the barrier properties of PLA: a state-of-the-art review for food packaging applications
S Marano, E Laudadio, C Minnelli, P Stipa - Polymers, 2022 - mdpi.com
It is now well recognized that the production of petroleum-based packaging materials has
created serious ecological problems for the environment due to their resistance to …
created serious ecological problems for the environment due to their resistance to …
A review of multiscale computational methods in polymeric materials
Polymeric materials display distinguished characteristics which stem from the interplay of
phenomena at various length and time scales. Further development of polymer systems …
phenomena at various length and time scales. Further development of polymer systems …
Modeling and simulations of polymers: a roadmap
TE Gartner III, A Jayaraman - Macromolecules, 2019 - ACS Publications
Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …
engineering community. These computational approaches enable predictions and provide …
Theory and simulation studies of effective interactions, phase behavior and morphology in polymer nanocomposites
V Ganesan, A Jayaraman - Soft Matter, 2014 - pubs.rsc.org
Polymer nanocomposites are a class of materials that consist of a polymer matrix filled with
inorganic/organic nanoscale additives that enhance the inherent macroscopic (mechanical …
inorganic/organic nanoscale additives that enhance the inherent macroscopic (mechanical …
Bound polymer layer in nanocomposites
N Jouault, JF Moll, D Meng, K Windsor… - ACS Macro …, 2013 - ACS Publications
There has been considerable interest in characterizing the polymer layer that is effectively
irreversibly bound to nanoparticles (NPs) because it is thought to underpin the unusual …
irreversibly bound to nanoparticles (NPs) because it is thought to underpin the unusual …
Modeling of polymer structure and conformations in polymer nanocomposites from atomistic to mesoscale: A Review
Over the past two decades polymer nanocomposites have received tremendous interest
from industry and academia due to their advanced properties comparative to polymer …
from industry and academia due to their advanced properties comparative to polymer …
Segmental dynamics of polymer melts with spherical nanoparticles
The impact of spherical nanoparticles (NPs) on the segmental dynamics of polymer melts is
investigated. The addition of NPs broadens the segmental dynamics with effects of both …
investigated. The addition of NPs broadens the segmental dynamics with effects of both …
The filler–rubber interface in styrene butadiene nanocomposites with anisotropic silica particles: morphology and dynamic properties
L Tadiello, M D'Arienzo, B Di Credico, T Hanel… - Soft Matter, 2015 - pubs.rsc.org
Silica–styrene butadiene rubber (SBR) nanocomposites were prepared by using shape-
controlled spherical and rod-like silica nanoparticles (NPs) with different aspect ratios (AR …
controlled spherical and rod-like silica nanoparticles (NPs) with different aspect ratios (AR …
Coarse-grained molecular dynamics simulation of filled polymer nanocomposites under uniaxial elongation
K Hagita, H Morita, M Doi, H Takano - Macromolecules, 2016 - ACS Publications
We performed coarse-grained MD simulations of polymer nanocomposites with spherical
nanoparticles (NPs) on the basis of the Kremer–Grest model. Cases of “aggregated” and …
nanoparticles (NPs) on the basis of the Kremer–Grest model. Cases of “aggregated” and …
Dynamics of various polymer–graphene interfacial systems through atomistic molecular dynamics simulations
AN Rissanou, V Harmandaris - Soft Matter, 2014 - pubs.rsc.org
The current work refers to a simulation study on hybrid polymer–graphene interfacial
systems. We explore the effect of graphene on the mobility of polymers, by studying three …
systems. We explore the effect of graphene on the mobility of polymers, by studying three …