Complicated Effects of Intermolecular Interaction and Chain Rigidity on the Glass Formation of Acrylic Networks
Macromolecules,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 2, 2025
The
knowledge
of
molecular
dynamics
induced
by
noncovalent
bonding
is
important
for
the
fabrication
high-performance
polymeric
materials.
However,
little
attention
paid
to
segmental
triggered
π–π
stacking
interactions
and
fluorinated
polar
interactions.
Here,
complicated
effects
rigidity
intermolecular
interaction
on
dynamic
fragility
m
glass
transition
temperature
Tg
are
systematically
investigated
in
acrylic
networks.
It
found
that
structures
have
minor
due
their
relatively
weak
strength,
whereas
increases
with
growth
after
introduction
rigid
aromatic
structures.
In
contrast,
further
addition
hindered
phenols
or
metallic
ions
leads
an
increased
while
reduced.
Based
generalized
entropy
theory
(GET)
formation,
it
can
be
concluded
polymers
but
strength
tend
fragile
almost
constant
cohesive
energy
densities.
Although
hydrogen
ionic
act
as
transient
cross-linkers,
densities
also
increase
because
high
polarities,
thus
leading
decreased
fragilities.
These
results
not
only
help
clarify
relationship
between
formation
provide
fundamental
experimental
benefits
verifying
predictions
GET
simulations
glass-forming
polymer
Language: Английский
Influence of topology on rheological properties of polymer ring melts
The Journal of Chemical Physics,
Journal Year:
2025,
Volume and Issue:
162(9)
Published: March 5, 2025
We
investigate
with
numerical
simulations
the
influence
of
topology
and
stiffness
on
macroscopic
rheological
properties
polymer
melts
consisting
unknotted,
knotted,
or
concatenated
rings.
While
flexible,
knotted
oligomer
rings
tend
to
be
significantly
more
viscous
than
their
unknotted
counterparts,
differences
vanish
in
a
low
shear
rate
scenario
increasing
degree
polymerization.
Melts
catenanes
two
other
hand
are
consistently
unconcatenated
counterparts.
These
topology-based
can
exploited
segregate
mixtures
otherwise
chemically
similar
polymers,
e.g.,
microfluidic
devices,
which
is
demonstrated
by
exposing
blend
flexible
channel
flow.
Language: Английский
Ionic Interactions Induced Anomalous Segmental Dynamics in Polymer/Salt Complexes
Macromolecules,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Dec. 3, 2024
Language: Английский
Understanding Relaxation in the Kob-Andersen Liquid Based on Entropy, String, Shoving, Localization, and Parabolic Models
Qi-Lu Yuan,
No information about this author
Xiaolei Xu,
No information about this author
Jack F. Douglas
No information about this author
et al.
The Journal of Physical Chemistry B,
Journal Year:
2024,
Volume and Issue:
128(44), P. 10999 - 11021
Published: Oct. 23, 2024
We
assess
the
validity
of
a
range
models
glass
formation
based
on
molecular
dynamics
simulation
results
Kob-Andersen
(KA)
model
system
under
wide
constant
volume
and
pressure
conditions.
These
include
Adam-Gibbs
emphasizing
configurational
entropy,
string
collective
particle
exchange
motion,
shoving
material
elasticity,
localization
dynamical
free
volume,
parabolic
ideas
dynamic
facilitation
and,
alternatively,
hypothesis
that
involves
an
avoided
critical
point.
demonstrate
these
seemingly
disparate
all
provide
reasonable
description
structural
relaxation
diffusion
data
for
KA
conditions
considered.
Hence,
present
study
points
to
some
unity
in
our
understanding
relationship
between
leading
formation,
supporting
inferences
drawn
from
previous
studies
polymeric
glass-forming
liquids.
Language: Английский