FirePhysChem,
Год журнала:
2024,
Номер
4(4), С. 283 - 294
Опубликована: Март 6, 2024
Co-agglomeration
unique
crystal
engineering
approach;
in
which
the
co-precipitated
micro-particles
of
nitramines
with
other
energetic
materials
co-agglomerated
by
slurry
method;
to
modify
properties
attractive
like
CL20,
HMX,
BCHMX,
and
RDX
etc.
The
interesting
structural
modifications
newly
prepared
crystals
(CACs)
one
are
discussed
here.
There
notable
variations
morphologies
packing
crystals,
including
key
relatively
high
density,
melting
point,
impact
sensitivity,
detonation
properties.
These
CACs
overwhelming
majority
showing
co-crystals.
Apart
from
these
aspects,
co-agglomeration
provides
a
huge
opportunity
tune
performance
existing
is
easy
scale-up
for
industrial
level.
preliminary
results
also
suggest
that
chemical
factors
involved
preparation
have
tremendous
improvements
than
conventional
crystallization.
With
technological
optimization
this
method
can
be
employable
scale
production.
Nanotechnology Reviews,
Год журнала:
2022,
Номер
11(1), С. 2141 - 2153
Опубликована: Янв. 1, 2022
Abstract
Cocrystallization
is
an
important
method
to
obtain
high-energy
and
low-sensitivity
explosives.
Therefore,
the
synthesis,
structures,
properties
of
cocrystal
energetic
materials
have
become
a
highly
active
research
topic.
Studying
physical
chemical
by
molecular
dynamics
great
significance
for
in-depth
understanding
design/synthesis
new
materials.
This
review
introduces
dynamics,
synthesized
successfully
date,
application
The
existing
problems
future
development
directions
are
discussed.
We
hope
that
this
will
encourage
researchers
interested
in
field
design
synthesize
low-sensitive
with
practical
value.
Crystal Growth & Design,
Год журнала:
2020,
Номер
20(6), С. 3826 - 3833
Опубликована: Апрель 20, 2020
A
new
1:3
CL-20
(2,4,6,8,10,12-hexanitrohexaazaisowurtzitane)/4,5-MDNI
(1-methyl-4,5-dinitroimidazole)
cocrystal
(1)
in
combination
with
the
previously
reported
1:1
CL-20/4,5-MDNI
(2)
together
have
been
first
realized
different
stoichiometric
ratios
based
on
and
4,5-MDNI
energetic–energetic
cocrystals.
Subtle
differences
intermolecular
interactions
packing
motifs
may
lead
to
formations
of
cocrystals
1
2
by
structure
comparisons.
Moreover,
properties
(e.g.,
density,
thermal
properties,
sensitivity,
detonation
performances)
varied
significantly
under
crystal
structures.
For
instance,
comprehensive
performances
(ρ:
1.813
g/cm3;
D:
8604
m/s,
P:
34.45
GPa;
IS:
16
J)
were
less
excellent
than
those
2,
whereas
exhibited
a
velocity
superior
that
LLM-105
(2,6-diamino-3,5-dinitropyrazine-l-oxide,
relatively
insensitive
explosive)
low
impact
sensitivity
close
LLM-105;
thus,
act
as
high-energy
explosive.
findings
offer
insights
into
design
preparation
energetic
other
cocrystals,
enrich
better
understanding
for
provide
smart
strategy
tune
performances.
Crystal Growth & Design,
Год журнала:
2020,
Номер
20(4), С. 2129 - 2134
Опубликована: Фев. 24, 2020
A
new
energetic
cocrystal
(1),
composed
of
1,3,5-trinitrobenzene
(TNB)
and
1-methyl-2,4-dinitroimidazole
(2,4-MDNI),
was
synthesized
for
the
first
time
via
rapid
cocrystallization
by
exploiting
differential
solubility.
Further,
this
method
extended
to
scale-up
high-performance
CL-20
(2,4,6,8,10,12-hexanitrohexaazaisowurt-zitane)/MTNP
(1-methyl-3,4,5-trinitropyrazole)
(2)
on
100
g
scale
in
a
fast
simple
way,
which
is
another
larger
preparation
fields.
The
investigations
thermodynamics
kinetics
coprecipitation
crystallization
indicate
that
solubility
ratios
pure
components
(R)
associated
with
Gibbs
free
energy
(ΔGform)
offer
valuable
insights
into
selection
suitable
further
design
synthesis
proposed
method.
Additionally,
2
exhibited
good
experimental
comprehensive
performances,
making
it
potential
candidate
instead
HMX
(1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane)
future.
Hence,
opens
up
an
efficient,
simple,
scalable
manufacture
cocrystals
high
industrial
production
future
practical
applications.
Chemical Communications,
Год журнала:
2020,
Номер
56(14), С. 2111 - 2114
Опубликована: Янв. 1, 2020
Cyanuric
triazide
and
benzotrifuroxan
(BTF)
form
a
metal-free
primary
energetic
cocrystal
with
suppressed
volatility
improved
thermal
properties
relative
to
CTA.
Molecules,
Год журнала:
2022,
Номер
27(15), С. 4775 - 4775
Опубликована: Июль 26, 2022
In
the
niche
area
of
energetic
materials,
a
balance
between
energy
and
safety
is
extremely
important.
To
address
this
“energy–safety
contradiction”,
cocrystals
have
been
introduced.
The
investigation
synthesis
methods,
characteristics,
efficacy
utmost
importance
for
optimizing
their
design
development.
This
review
covers
(i)
various
methods
cocrystals;
(ii)
discusses
characteristics
such
as
structural
properties,
detonation
performance,
sensitivity
analysis,
thermal
morphology
mapping,
along
with
other
properties
oxygen
balance,
solubility,
fluorescence;
(iii)
performance
respect
to
contents
(detonation
velocity
pressure)
sensitivity.
followed
by
concluding
remarks
together
future
perspectives.
CrystEngComm,
Год журнала:
2022,
Номер
24(8), С. 1523 - 1528
Опубликована: Янв. 1, 2022
Shape-controlled
continuous
preparation
of
a
high-quality
CL-20/HMX
cocrystal
has
been
realized
through
microchannel-confined
crystallization
strategy.
Crystal Growth & Design,
Год журнала:
2022,
Номер
22(4), С. 2158 - 2167
Опубликована: Март 10, 2022
All-carbon-nitrated
azoles
have
the
advantages
of
high
density
and
good
oxygen
balance,
but
they
are
rarely
suitable
for
explosives
applications
due
to
their
fatal
deficiencies,
such
as
poor
thermal
stability,
sensitivity,
deliquescence.
Cocrystallization
technology
provides
a
feasible
idea
revive
all-carbon-nitrated
in
presence
flexible
structure
designability
performance
adjustability.
In
this
study,
three
attractive
energetic
cocrystals
1–3
were
synthesized
with
conjugate
triimidazo[1,2-a:1′,2′-c:1″,2″-e][1,3,5]triazine
(TT)
another
azole
[5-nitrotetrazole
(HNT),
3,5-dinitro-1,2,4-triazole
(HDNT),
3,4,5-trinitropyrazole
(TNP)],
respectively.
All
existed
stably
safely
under
natural
conditions
exhibited
better
frictional
sensitivity
(FS),
impact
(IS)
than
pure
HNT,
HDNT,
TNP.
Therein,
two
melting
points
(Tm)
2
61.9
95.5
°C
higher
that
its
decomposition
temperature
(Td)
was
81.2
HDNT.
The
mechanical
1
(FS
=
80
N
IS
24
J)
significantly
improved
compared
extremely
sensitive
HNT
<
5
J).
Moreover,
3
excellent
controllable
detonation
performances
(1.703
g
cm–3,
6903
m
s–1,
18.0
GPa),
which
2,4,6-trinitrotoluene.
single-crystal
analysis
theoretical
calculation
showed
formation
primarily
depended
on
N–H···N,
C–H···N,
C–H···O
hydrogen
bonds
NO2···π
interaction
π–π
stacking.
stability
obviously
energetics,
attributed
combination
these
strong
bond
interactions
weak
π-stacking
interactions.
Therefore,
cocrystallization
promising
method
give
"dead"
new
life.
physica status solidi (RRL) - Rapid Research Letters,
Год журнала:
2021,
Номер
16(3)
Опубликована: Июнь 1, 2021
The
relationships
between
the
theoretical
values
calculated
using
density
functional
theory
and
experimental
data
derived
from
differential
scanning
calorimetry
of
high‐energy
organic
compounds
are
studied.
number
atoms
bonds
different
types
their
lengths,
minimum
eigenfrequencies,
atomization
energies,
ionization
potentials,
electron
affinities,
frontier
orbital
energies.
amounts
releasing
heat
(the
first
peaks
higher
than
1
kJ
g
−1
)
corresponding
temperatures.
Neural
networks
regression,
factor,
discriminant,
cluster
analysis
applied
to
find
dependencies
data.
It
is
found
that
amount
cannot
be
predicted
in
general
cases,
whereas
temperature
can
with
a
neural
network
an
accuracy
≈30
°C.
Cluster
discriminant
provides
way
for
classification
into
three
groups.
Some
these
groups
require
particular
rules
prediction
values.
