Coatings,
Год журнала:
2024,
Номер
14(4), С. 439 - 439
Опубликована: Апрель 8, 2024
This
study
presents
a
detailed
investigation
into
the
use
of
β-cyclodextrin
(β-CD)
encapsulated
iron
oxide
nanoparticle
(β-CD@Fe3O4)
composites,
modified
with
different
ligands,
to
activate
peroxymonosulfate
(PMS)
for
degradation
pharmaceutical
contaminants,
namely,
diclofenac,
carbamazepine,
and
erythromycin.
The
focus
is
on
understanding
ligand
effect,
particularly
using
citric
acid
(CIT),
polyethyleneimine
(PEI),
cetyl
trimethyl
ammonium
bromide
(CTAB),
performance
these
composites.
Employing
density
functional
theory
(DFT)
calculations,
this
work
examines
electronic
structure
charge
distributions
β-CD@Fe3O4
providing
insights
their
interaction
various
pollutants.
reveals
that
β-CD@PEI@Fe3O4
composite
demonstrates
superior
efficiency
due
optimal
electrostatic
interactions,
regardless
pollutant’s
hydrophobicity.
On
other
hand,
β-CD@CIT@Fe3O4
shows
moderate
efficiency,
β-CD@CTAB@Fe3O4
exhibits
selective
hydrophobic
compounds.
These
findings
underscore
significant
role
surface
chemistry
in
modulating
activation
PMS
opening
avenues
designing
tailored
β-CD
composites
environmental
remediation.
