Journal of Energetic Materials,
Journal Year:
2024,
Volume and Issue:
unknown, P. 1 - 15
Published: Dec. 30, 2024
An
accurate
reaction
rate
model
of
an
explosive
is
essential
for
evaluating
its
shock
sensitivity
when
exposed
to
external
stimuli,
and
this
usually
calibrated
with
the
help
initiation
experiments.
Generally,
one
dataset
from
experiments
sufficient
successfully
calibrate
explosive;
parameters
model,
however,
are
not
necessarily
accurate,
thus
requiring
a
balance
between
number
datasets
accuracy
model.
In
study,
were
conducted
on
melt-cast
matrix
3,4-dinitropyrazole
(DNP).
By
combining
finite
element
simulations,
was
obtained,
effects
different
DNP
investigated,
requisite
also
recommended.
Crystal Growth & Design,
Journal Year:
2024,
Volume and Issue:
24(2), P. 741 - 746
Published: Jan. 2, 2024
Pyrazine
1,4-dioxide
(PZDO)
is
a
chemical
frequently
employed
as
coformer
in
cocrystal
design.
It
has
two
N-oxide
fragments
that
signify
potential
hazards,
but
we
found
no
information
about
it
prior
literature.
Therefore,
investigate
the
thermal
behavior,
thermochemical
properties,
and
mechanical
sensitivity
of
title
compound.
We
demonstrate
material
explodes
standard
impact
tests
at
certain
drop
energy.
By
level
its
computed
energetic
potential,
PZDO
approaches
benchmark
trinitrotoluene.
screened
ten
materials
for
formation
with
using
analysis
methods
predicted
three
novel
cocrystals.
However,
failed
to
grow
X-ray
quality
crystals
by
conventional
approach
due
significantly
differing
solubility
other
components
common
solvents.
Two
suitable
coarse
cocrystals
3,4-dinitropyrazole/PZDO
3,5-dinitropyrazole/PZDO
were
finally
prepared
resublimation
(vacuum
recondensation
preformed
comelt),
structure
reported.
Overall,
characterize
an
highlight
risks
associated
The
preparation
via
gas
phase
route,
although
laborious,
may
be
effective
when
traditional
(via
solution)
fails.
ACS Omega,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 21, 2025
To
address
the
quality
issues
arising
from
uncontrollable
morphological
grain
size
in
preparation
of
CL-20/HMX
cocrystals,
a
novel
method
for
producing
high-quality
cocrystals
with
well-defined
sizes
has
been
developed.
The
cocrystallization
process
was
conducted
using
solvent/nonsolvent
method,
wherein
mixing
efficiency
and
solution
supersaturation
were
precisely
controlled
through
systematic
optimization
key
parameters,
including
solvent
composition,
ratio,
reaction
temperature,
stirring
rate.
Through
experimental
three
distinct
rhombohedral
cocrystal
samples
uniform
particle
distributions
morphologies
successfully
prepared,
exhibiting
characteristic
D
50
values
20,
63,
130
μm.
Comprehensive
characterization
revealed
that
SEM
analysis
demonstrated
possess
smooth
surfaces
regular
geometric
shapes.
Combined
XRD
micro-CT
analyses
confirmed
high
crystallinity
particularly
noting
reduced
internal
defects
superior
crystal
perfection
larger-grained
samples.
DSC
measurements
indicated
enhanced
thermal
stability
larger
sizes.
Furthermore,
sensitivity
testing
showed
are
less
sensitive
than
smaller-grained
ones,
which
can
be
attributed
to
more
compact
structure
crystals.
Molecules,
Journal Year:
2023,
Volume and Issue:
28(11), P. 4534 - 4534
Published: June 3, 2023
The
crystal
morphology
of
high
energetic
materials
plays
a
crucial
role
in
aspects
their
safety
performance
such
as
impact
sensitivity.
In
order
to
reveal
the
ammonium
dinitramide/pyrazine-1,4-dioxide
(ADN/PDO)
cocrystal
at
different
temperatures,
modified
attachment
energy
model
(MAE)
was
used
298,
303,
308,
and
313
K
predict
ADN/PDO
under
vacuum
ethanol.
results
showed
that
conditions,
five
growth
planes
were
given,
which
(1
0
0),
(0
1
1),
-1),
(2
-2).
Among
them,
ratios
0)
1)
40.744%
26.208%,
respectively.
plane,
value
S
1.513.
plane
more
conducive
adsorption
ethanol
molecules.
binding
between
solvent
>
-1)
-2)
0).
radial
distribution
function
analysis
revealed
there
hydrogen
bonds
ADN
cations,
van
der
Waals
interactions
with
anions.
As
temperature
increased,
aspect
ratio
reduced,
making
spherical,
helped
further
reduce
sensitivity
this
explosive.
Physical Chemistry Chemical Physics,
Journal Year:
2023,
Volume and Issue:
25(23), P. 15756 - 15766
Published: Jan. 1, 2023
As
a
new
type
of
energetic
material,
cocrystal
explosives
demonstrate
many
excellent
properties,
such
as
high
energy
density
and
low
sensitivity,
due
to
the
interaction
between
molecules
two
components.
The
known
decomposition
temperature
is
235
°C
for
CL-20/HMX
cocrystals
at
faster
heating
rate.
CL-20
could
separate
from
matrix
decompose
higher
temperature,
much
lower
than
temperature.
current
work
provided
deep
insight
into
isothermal
structural
evolution
with
slow
roasting
190
°C.
We
found
that
initial
originates
separating
surface
along
(010)
plane
cocrystals.
gas
products,
NO2
NO,
escape
largest
exposed
generates
microbubbles
microholes.
At
same
time,
residual
HMX
form
δ-phase
crystals
shrink
volume
by
72%.
By
increasing
time
held
°C,
recrystallization
gully-like
structure
on
cocrystal.
After
long
component
completely
decomposes,
all
recrystallize
in
δ-HMX
form.
makes
rate
slower
pure
crystal
similar
activation
during
heating.
This
can
help
deeply
understand
safety
recognized
