Molecular Simulation Study on the Impact of a Cross-Linked Network Structure on the Tensile Mechanical Properties of PBT Substrates
Renlong Huang,
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Kang Zhao,
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Peng Cao
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et al.
Materials,
Journal Year:
2025,
Volume and Issue:
18(7), P. 1675 - 1675
Published: April 6, 2025
This
study
investigates
the
correlation
between
cross-linked
network
structure
and
macroscopic
mechanical
properties
of
3,3-bis(azidomethyl)oxetane-tetrahydrofuran
copolymer
(PBT)-based
solid
propellants
through
molecular
dynamics
(MD)
simulations.
A
multi-component
system
comprising
PBT
chains,
toluene
diisocyanate
(TDI),
trimethylolpropane
(TMP),
tetraethylene
glycol
(TEG),
sodium
perchlorate
(AP)
was
constructed.
Perl
script
programming
utilized
to
precisely
control
dynamic
cross-linking
reaction.
Molecular
models
with
densities
0%,
50%,
60%,
70%,
80%,
90%
were
established,
their
analyzed
under
varying
cross-link
strain
rates
uniaxial
tensile
The
results
indicate
that
formation
significantly
alters
energy
distribution
microstructural
characteristics
system.
As
density
increases
from
50%
90%,
total
decreases
by
approximately
40%,
primarily
due
reductions
in
non-bonded
energy.
radial
function
(RDF)
root
mean
square
displacement
(MSD)
curves
reveal
reaction
enhances
covalent
bond
reduces
degrees
freedom,
glass
transition
temperature
(Tg).
Under
identical
conditions,
higher
exhibit
greater
stress
resistance.
Specifically,
growth
rate
42.1%
as
stretching
rises
1.0
×
1011
s−1
2.0
s−1,
compared
an
18.7%
increase
for
These
findings
have
significant
implications
optimizing
processing
parameters
predicting
propellants.
Language: Английский
Advances in PBT Binder and Its Application in Propellants
Ning Zhang,
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Xifei Gao,
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Yunjun Luo
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et al.
Polymers,
Journal Year:
2025,
Volume and Issue:
17(9), P. 1151 - 1151
Published: April 23, 2025
3,3-Bis
(azide
methyl)
oxy-butyl
ring
(BAMO)-tetrahydrofuran
(THF)
copolyethers
(PBT)
are
some
of
the
most
promising
energetic
binders.
In
this
paper,
methods
synthesis
PBT
binders
reviewed,
and
research
progress
in
PBT-based
solid
propellants
terms
their
thermal
combustion
behavior,
curing
rheology
properties,
energy
aging
mechanical
safety
performances
systematically
summarized.
The
problems
shortcomings
application
thriving
trends
pointed
out,
providing
support
for
speeding
up
practical
high-energy
propellants.
Language: Английский