Environmental Pollutants and Bioavailability,
Год журнала:
2024,
Номер
36(1)
Опубликована: Авг. 5, 2024
Cu2O/ZL-10
was
successfully
fabricated
as
a
good
activator
of
PDS
and
photo-catalyst.
The
physicochemical
characteristics
the
prepared
were
investigated.
employed
to
activate
for
sulfadiazine
(SDZ)
degradation
under
visible
light
irradiation.
In
Vis/Cu2O/ZL-10/PDS
system,
91.98%
rate
SDZ
51.8%
TOC
removal
after
180
min
reaction
obtained.
improved
significantly
by
increase
doping
amount
Cu2O,
concentration
addition
while
it
decreased
with
growth
initial
pH.
Moreover,
descend
only
0.9%
five
cycles
uses
Cu2O/ZL-10.
Quenching
experiments
EPR
spectra
demonstrated
that
dominant
free
radicals
•O2–,
SO4•–
•OH
generated
degradation.
It
an
effective
promising
catalyst
simultaneous
activation
utilization
generate
active
species
photo-induced
electron,
respectively.
ACS Physical Chemistry Au,
Год журнала:
2024,
Номер
4(3), С. 247 - 258
Опубликована: Фев. 27, 2024
The
enthalpies
of
formation
are
computed
for
a
large
number
per-
and
poly
fluoroalkyl
substances
(PFAS)
using
connectivity-based
hierarchy
(CBH)
approach.
A
combination
different
electronic
structure
methods
used
to
provide
the
reference
data
in
hierarchical
manner.
ANL0
method,
conjunction
with
active
thermochemical
tables,
provides
smaller
species
subchemical
accuracy.
Coupled-cluster
theory
explicit
correlations
compute
intermediate
species,
based
upon
results.
For
largest
PFAS,
including
perfluorooctanoic
acid
(PFOA)
heptafluoropropylene
oxide
dimer
(GenX),
coupled-cluster
local
is
used.
sequence
homodesmotic
reactions
proposed
by
CBH
determined
automatically
new
open-source
code,
AutoCBH.
results
first
reported
majority
species.
convergence
analysis
global
uncertainty
quantification
confirm
that
at
0
K
should
be
accurate
within
±5
kJ/mol.
This
approach
not
limited
but
can
applied
many
chemical
systems.
Environmental Science & Technology,
Год журнала:
2023,
Номер
57(47), С. 18970 - 18980
Опубликована: Май 24, 2023
Per-
and
polyfluoroalkyl
substances
(PFAS)
are
widely
used
anthropogenic
chemicals.
Because
of
the
strength
carbon–fluorine
bond,
PFAS
not
destroyed
in
typical
water
treatment
processes.
Sulfate
(SO4•–)
hydroxyl
(•OH)
radicals
can
oxidize
some
PFAS,
but
behavior
per-
ether
acids
(PFEAs)
processes
involving
SO4•–
•OH
is
poorly
understood.
In
this
study,
we
determined
second-order
rate
constants
(k)
describing
oxidation
18
including
15
novel
PFEAs,
by
•OH.
Among
studied
6:2
fluorotelomer
sulfonate
reacted
most
readily
with
[k•OH
=
(1.1–1.2)
×
107
M–1
s–1],
while
containing
an
-O-CFH-
moiety
more
slowly
(0.5–1.0)
106
s–1].
presence
SO4•–,
rapidly
[kSO4•–
(0.89–4.6)
s–1]
than
perfluoroalkyl
carboxylic
(PFECAs)
a
chloro-perfluoro-polyether
acid
(ClPFPECA)
(0.85–9.5)
104
For
homologous
series
acids,
linear
branched
monoether
PFECAs,
multiether
chain
length
had
little
impact
on
constants.
headgroup
PFECAs.
contrast,
for
sulfonic
moiety,
site
attack
was
moiety.
Perfluoroalkyl
were
oxidized
under
conditions
evaluated
study.
