Prediction and Evaluation of Pyrimidinones Derivatives: DFT Analysis, Corrosion Inhibition, and Bioactivity Studies
Results in Surfaces and Interfaces,
Journal Year:
2025,
Volume and Issue:
unknown, P. 100448 - 100448
Published: Feb. 1, 2025
Language: Английский
Rapid in-situ electric swing adsorption and efficient semiconductor refrigeration coupling for scaled-up sorption-based atmospheric water harvesting
Yinning Li,
No information about this author
Fen Jiang,
No information about this author
Ming Li
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et al.
Energy Conversion and Management,
Journal Year:
2025,
Volume and Issue:
326, P. 119469 - 119469
Published: Jan. 6, 2025
Language: Английский
Water vapor adsorption in Devonian Marcellus shale kerogen: Experiment and molecular simulation
Xuyao Wang,
No information about this author
Yu Liu,
No information about this author
Guijie Sang
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et al.
Physics of Fluids,
Journal Year:
2025,
Volume and Issue:
37(2)
Published: Feb. 1, 2025
Water
plays
significant
roles
in
shale
gas
accumulation
and
extraction,
yet
the
interactions
between
water
kerogen
are
still
unclear
due
to
complexity
of
natural
pore
system
molecular
structure
kerogen.
This
study
investigates
adsorption
mechanism
vapor
by
analyzing
dynamic
sorption
(DVS)
experimental
results,
combined
with
simulations
based
on
a
realistic
model
Marcellus
Pore
characteristics
from
low-pressure
nitrogen
carbon
dioxide
adsorption,
as
well
scanning
electron
microscopy,
were
used
further
understand
adsorption.
The
simulation
results
reveal
that
condensation
exhibits
size
effect.
condenses
more
readily
pores
smaller
than
1.5
nm,
while
larger
pores,
it
primarily
adsorbs
surface.
Within
kerogen,
vast
majority
resides
micropores
matrix.
Mesopores
macropores
occupy
∼10%
total
specific
surface
area,
less
5%
molecules
adsorbed
surfaces
mesopores
macropores.
DVS
experiments
indicate
amount
increases
rapidly
when
relative
humidity
exceeds
80%.
Molecular
show
this
increase
is
ultra-micropores
(<1
nm)
free
space
not
conducive
vapor.
Language: Английский
Adsorption mechanisms of Cu, Mn, and Zn diperrhenate complexes on activated carbon: Molecular simulations and experimental insights
Applied Surface Science,
Journal Year:
2025,
Volume and Issue:
unknown, P. 162684 - 162684
Published: Feb. 1, 2025
Language: Английский
Evolution of water vapor adsorption behavior on kerogen: Pyrolysis and molecular investigation
Zhikai Liang,
No information about this author
Zhenxue Jiang,
No information about this author
Zixin Xue
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et al.
Fuel,
Journal Year:
2025,
Volume and Issue:
395, P. 135105 - 135105
Published: March 30, 2025
Language: Английский
Effects of Manganese Carbonate Addition on the Carbocatalytic Properties of Lignocellulosic Waste for Use in the Degradation of Acetaminophen
Camila Mosquera-Olano,
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Carolina Quimbaya,
No information about this author
V. Rodriguez
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et al.
Polymers,
Journal Year:
2024,
Volume and Issue:
16(23), P. 3316 - 3316
Published: Nov. 27, 2024
A
carbon-based
material
was
synthesized
using
potato
peels
(BPP)
and
banana
pseudo-stems
(BPS),
both
of
which
were
modified
with
manganese
to
produce
BPP-Mn
BPS-Mn,
respectively.
These
materials
assessed
for
their
ability
activate
peroxymonosulfate
(PMS)
in
the
presence
MnCO3
degrade
acetaminophen
(ACE),
an
emerging
water
contaminant.
The
underwent
characterization
spectroscopic,
textural,
electrochemical
techniques.
Manganese
served
a
dual
function:
enhancing
adsorption
properties
facilitating
breaking
peroxide
bonds.
Additionally,
carbonate
ions
played
structural
role
materials,
transforming
into
CO2
at
high
temperatures
thereby
increasing
porosity,
improved
capabilities.
This
presents
notable
advantage
that
have
not
undergone
de-lignification.
Among
tested,
BPS
exhibited
highest
efficiency
carbocatalytic
degradation
ACE,
achieving
synergy
index
1.31
within
just
5
min,
42%
ACE
compared
achieved
100%
removal
through
adsorption.
Reactive
oxygen
species
such
as
sulfate,
hydroxyl,
superoxide
anion
radicals
identified
primary
contributors
pollutant
degradation.
In
contrast,
no
observed
BPP
BPP-Mn,
is
likely
linked
lower
lignin
content
precursor
material.
work
addressed
challenge
revalorizing
lignocellulosic
waste
by
highlighting
its
potential
oxidant
pollutants.
Furthermore,
study
demonstrated
coexistence
various
reactive
species,
confirming
capacity
matrices
PMS.
Language: Английский