Langmuir,
Journal Year:
2025,
Volume and Issue:
41(5), P. 3643 - 3653
Published: Jan. 31, 2025
Acid
mine
drainage
sludge
(AMDS)
can
be
utilized
as
a
raw
material
to
synthesize
an
efficient
adsorbent
through
more
environmentally
friendly
approach
for
the
removal
of
pollutants
from
water.
In
this
study,
iron
ions
were
extracted
AMDS
and
then
reacted
with
trimesic
acid
(BTC)
under
ambient
conditions
Fe-BTC-n,
iron-based
metal-organic
frameworks.
These
materials
demonstrate
exceptionally
high
specific
surface
area
excellent
chemical
stability.
Norfloxacin
was
applied
model
pollutant
assess
adsorption
performance
synthesized
materials.
Results
indicated
maximum
capacity
280.84
mg/g
at
298
K,
initial
solution
pH
10,
dosage
0.1
g/L.
Characterization
techniques,
including
scanning
electron
microscopy
(SEM),
X-ray
diffraction
(XRD),
N2
adsorption-desorption
isotherms,
photoelectron
spectroscopy
(XPS),
Fourier
transform
infrared
(FTIR),
along
density
functional
theory
(DFT)
calculations,
employed
study
mechanisms
norfloxacin
on
Fe-BTC
surface.
The
mechanism
found
involve
pore
filling,
electrostatic
interactions,
π-π
stacking,
coordination
interactions.
Additionally,
exhibited
regeneration
desorption
performance.
This
offers
promising
converting
into
effective
adsorbents
treatment
antibiotic-contaminated
wastewater,
contributing
sustainable
environmental
development
remediation
efforts.
Water,
Journal Year:
2025,
Volume and Issue:
17(9), P. 1335 - 1335
Published: April 29, 2025
This
study
integrates
molecular
dynamics
(MD)
simulations
and
density
functional
theory
(DFT)
computations
to
elucidate
the
unique
adsorption
characteristics
of
phenol
para-chlorophenol
onto
sepiolite
by
examining
structural
deformation,
electronic
properties,
energetics.
The
hydroxyl
group
(-OH)
mainly
determines
its
process
since
it
has
a
quite
negative
Mulliken
charge
(−0.428)
significant
electrophilic
reactivity
(fi+
=
0.090),
therefore
enabling
strong
hydrogen
bonding
with
silanol
(-SiOH)
groups
sepiolite.
By
π-π
interactions
electron-rich
siloxane
(-Si-O-Si-)
surfaces,
aromatic
carbons
in
improve
stability.
close
structure
allows
minimum
deformation
energy
(Edef
94.18
kcal/mol),
hence
optimizing
alignment
surface.
much
(Eads
−349.26
kcal/mol)
supports
further
thermodynamic
Conversely,
because
copious
chlorine
(-Cl)
component,
runs
against
steric
electrical
obstacles.
virtually
neutral
(−0.020)
limits
electrostatic
even
if
atom
shows
great
electrophilicity
0.278).
Chlorine’s
electron-withdrawing
action
lowers
group’s
0.077)
reactivity,
lowering
bonding.
Moreover,
102.33
which
causes
poor
less
access
high-affinity
sites.
With
than
phenol,
for
−317.53
indicates
reduced
affinity.
Although
more
evident
polarizable
atom,
van
der
Waals
do
not
balance
hindrance
interactions.
maximum
Qmax
0.78
mmol/g,
isotherm
models
confirm
remarkable
capability
contrast
0.66
mmol/g
para-chlorophenol.
π-cation
interactions,
builds
dense
structured
layer,
chaotic
organization
site
use.
Supported
computational
approaches
experimental
validation,
results
provide
comprehensive
knowledge
mechanisms
basis
design
adsorbents
catered
particular
organic
pollutants.
Molecules,
Journal Year:
2024,
Volume and Issue:
29(9), P. 2063 - 2063
Published: April 29, 2024
One-step
carbonization
was
explored
to
prepare
biochar
using
the
residue
of
a
traditional
Chinese
herbal
medicine,
Atropa
belladonna
L.
(ABL),
as
raw
material.
The
resulting
biochar,
known
ABLB4,
evaluated
for
its
potential
sustainable
material
norfloxacin
(NOR)
adsorption
in
water.
Subsequently,
comprehensive
analysis
isotherms,
kinetics,
and
thermodynamics
conducted
through
batch
experiments.
maximum
calculated
NOR
capacity
252.0
mg/g
at
298
K,
spontaneous
exothermic
on
ABLB4
could
be
better
suited
pseudo-first-order
kinetic
model
Langmuir
model.
process
observed
is
influenced
by
pore
diffusion,
π–π
interaction,
electrostatic
hydrogen
bonding
between
molecules.
Moreover,
utilization
response
surface
modeling
(RSM)
facilitated
optimization
removal
efficiency
NOR,
yielding
rate
97.4%
temperature
304.8
an
initial
concentration
67.1
mg/L,
pH
7.4.
Furthermore,
demonstrated
favorable
economic
advantages,
with
payback
852.5
USD/t.
More
importantly,
even
after
undergoing
five
cycles,
exhibited
consistently
high
rate,
indicating
significant
application
adsorption.
