Energy & Fuels,
Год журнала:
2021,
Номер
36(1), С. 6 - 59
Опубликована: Дек. 21, 2021
The
current
state-of-the-art
analysis
techniques
for
petroleum
fractions
has
progressed
substantially
during
the
past
decade.
This
helped
to
further
improve
lumping
procedures
and
modeling
approaches
of
these
complex
systems.
Recent
advances
in
gas
chromatography
(GC),
GC-field
ionization
mass
spectrometry
(GC-FIMS),
comprehensive
(GC×GC)
have
made
it
possible
determine
compositions
with
up
45
carbon
atoms
some
cases
C80.
combination
MS
other
selective
detectors
reversed-phase
column
combinations
quantify
even
traces
heteroatomic
compounds
hydrocarbon
matrices.
Fourier-transform
ion
cyclotron
resonance
(FT-ICR-MS),
combined
GC×GC
lighter
part,
pushed
characterization
larger
macromolecules
particular
asphaltenes.
Matrix-assisted
laser
desorption/ionization
(MALDI)
is
also
used
widely
this
purpose
but
disadvantage
that
quantification
not
obvious.
development
more
detailed
remained
unnoticed
petrochemical
society
recently
kinetic
society.
More
implementation
models
simulation
optimization
including
molecular
detail.
Additionally,
photoionization
(PI-MS)
allowed
detection
reactive
intermediates
direct
measurements
time-resolved
experiments.
It
can
only
be
expected
trend
will
continue
application
field
move
from
now
primarily
petrochemistry
(from
catalytic
cracking,
over
hydrotreating,
hydrocracking
pyrolysis,
combustion,
steam
cracking)
larger-scale
chemical
recycling
biomass
conversion
processes.
Journal of Hazardous Materials,
Год журнала:
2024,
Номер
473, С. 134605 - 134605
Опубликована: Май 14, 2024
Polycyclic
aromatic
compounds
(PACs),
including
polycyclic
hydrocarbons
(PAHs)
and
heteroatom-containing
analogues,
constitute
an
important
environmental
contaminant
class.
For
decades,
limited
numbers
of
priority
PAHs
have
been
routinely
targeted
in
pollution
investigations,
however,
there
is
growing
awareness
for
the
potential
occurrence
thousands
PACs
environment.
In
this
study,
untargeted
Fourier
transform
ion
cyclotron
resonance
mass
spectrometry
was
used
molecular
characterisation
a
sediment
core
from
Chiswick
Ait,
River
Thames,
London,
UK.
Using
complex
mixture
analysis
approaches,
aromaticity
index
calculations,
number
PAC
components
determined
eight
depths,
extending
back
to
1930s.
A
maximum
1676
compositions
representing
detected
at
depth
corresponding
1950s,
decline
observed
up
core.
case
linking
London's
coal
consumption
history
presented,
alongside
other
possible
sources,
with
some
data
features
indicating
pyrogenic
origins.
The
overall
profile
trend
components,
oxygen,
sulfur,
nitrogen,
chlorine
atoms,
shown
broadly
correspond
16
PAH
concentration
previously
These
findings
implications
industry-impacted
environments.
Environmental Science Processes & Impacts,
Год журнала:
2021,
Номер
23(10), С. 1466 - 1475
Опубликована: Янв. 1, 2021
Dissolved
organic
matter
(DOM)
in
petroleum
refinery
wastewater
is
an
extremely
complex
mixture.
A
better
understanding
of
chemical
compositions
DOM
at
the
molecular
level
necessary
for
design
and
optimization
treatment
processes.
In
this
study,
two
largely
different
samples,
one
from
a
other
Suwannee
river
water,
were
characterized
by
Fourier
transform
ion
cyclotron
resonance
mass
spectrometry
(FT-ICR
MS)
coupled
with
positive-/negative-ion
electrospray
ionization
(ESI),
positive-ion
atmospheric
pressure
photoionization
(APPI).
For
DOM,
total
6226
formulae
assigned
three
modes.
However,
only
1182
common
all
spectra,
indicating
that
techniques
highly
complementary
types
molecules
they
ionize.
Acid
Ox
(x
=
1-9)
basic
N1Ox
0-2)
classes
dominant
detected
negative-ion
ESI
mode,
respectively.
And
contains
considerable
amounts
polycyclic
aromatic
hydrocarbons
did
not
respond
to
but
can
be
ionized
selectively
APPI.
Compared
riverine
has
higher
complexity
more
enriched
hydrocarbon,
nitrogen-
sulfur-containing
compounds.
The
results
show
major
components
distinctive
those
natural
matter.
Though
quantitative,
obtained
various
found
complementary,
are
helpful
our
selectivity
as
well
DOM.
Analytical Chemistry,
Год журнала:
2021,
Номер
93(14), С. 5872 - 5881
Опубликована: Март 30, 2021
The
in-depth
isomeric
and
isobaric
description
of
ultra-complex
organic
mixtures
remains
one
the
most
challenging
analytical
tasks.
In
last
two
decades,
ion
mobility
coupled
to
high-performance
mass
spectrometry
added
an
additional
structural
dimension.
Despite
tremendous
instrumental
improvements,
commercial
devices
are
still
limited
in
spectrometric
resolving
power
struggle
resolve
species
complex
patterns.
To
overcome
these
limitations,
we
explored
capabilities
cyclic
high-resolution
with
special
emphasis
on
petrochemical
applications.
We
could
show
that
quadrupole-selected
gives
closer
insights
into
distribution.
combination
slicing
specific
parts
dimension,
interferences
be
drastically
removed.
Collision-induced
dissociation
(CID)
allowed
separating
groups
polycyclic
aromatic
hydrocarbons
heterocycles
(PAH/PASH),
deploying
up
10
passes
device.
Finally,
introduce
a
data
processing
workflow
3.4
mDa
SH4/C3
split
by
combining
power.
Cyclic
intelligent
design
experiments
routines
will
powerful
approach
addressing
complexity
mixtures.
Energy & Fuels,
Год журнала:
2020,
Номер
35(1), С. 473 - 478
Опубликована: Дек. 15, 2020
Heavy
oils
are
commonly
found
in
China;
however,
the
Karamay
heavy
oil
is
unique
among
all.
It
has
very
low
asphaltene
content
and
an
excellent
feedstock
for
producing
high-quality
lubricant
base
oils.
Physical
characteristics
of
dependent
on
its
chemical
composition,
which
quite
difficult
to
be
characterized
due
complexity.
In
this
work,
bulk
properties
molecular
composition
crude
were
compared
with
those
other
was
that
high
concentration
compounds
long
side
chains
naphthenic
skeletons
makes
exhibit
a
viscosity
index.
The
less
temperature
at
temperatures,
technically
challenged
using
thermal
enhanced
recovery
techniques
production.
However,
ideal
use
as
oil.
Moreover,
total
sulfur
sulfides/thiophenes
ratio
provide
good
oxidation
stability.
Special
biological
precursors
geological
history
considered
elucidate
Energy & Fuels,
Год журнала:
2020,
Номер
34(7), С. 8260 - 8273
Опубликована: Июнь 12, 2020
Innate
sulfur
components
in
high
boiling
petroleum
samples
were
used
as
an
internal
standard
for
the
estimation
of
sample's
composition
through
atmospheric
pressure
photo
ionization
(APPI)
Fourier
transform
ion
cyclotron
resonance
mass
spectrometry
(FT-ICR
MS).
The
first
step
was
recording
a
representative
spectrum
aromatic
use
time-of-flight
spectrometer
(TOF
MS)
to
tune
FT-ICR
MS
parameters.
molecular
weight
and
number
atoms
per
species
identified
high-resolution
measurement,
their
spectrometric
abundance,
total
content
combined
calculate
fraction
each
(and
by
sum
all)
present.
Aromatic
hydrocarbon
(HC)
compound
quantification
based
on
equimolar
response
compared
species.
Nitrogen
treated
analogously
compounds
distributing
nitrogen
content.
balance
all
yields
saturated
(saturates),
which
is
not
directly
accessible
APPI
process.
validity
biases
this
approach
evaluated
series
vacuum
distilled
fractions
with
narrow
ranges
using
comprehensive
two-dimensional
gas
chromatography
(GCxGC)
reference
technique.
There
are
clear
presented
GCxGC
analysis,
especially
underestimation
monoaromatic
overestimation
diaromatic
(benzothiophenes);
however,
results
agree
surprisingly
well
and,
overall,
hydrocarbon-
sulfur-containing
families.
saturates
also
matched
reasonably
gravimetrically
determined
contents,
isolated
further
characterized
field
desorption/field
TOF
MS.
inclusion
carbon
distribution,
combination
data,
more
complete
compositional
description
studied
oil
samples.
method
applied
two
typical
range
(derived
from
Norwegian
Arabian
crude
oil)
provide
insight
into
usefulness
limitations
semiquantitative
context,
deemed
important
many
industry
applications.
Energy & Fuels,
Год журнала:
2021,
Номер
35(22), С. 18308 - 18332
Опубликована: Ноя. 1, 2021
Modern
industry
strongly
relies
on
the
molecular
analysis
of
fossil
petroleum
and
petroleum-derived
materials.
In
context
a
circular
economy
carbon
neutrality,
chemical
description
alternative
feedstock
materials,
such
as
waste
plastic
biomass
pyrolysis
oils,
increases
in
importance.
Moreover,
online
monitoring
thermochemical
catalytic
conversion
processes
has
gained
rising
attention.
this
framework,
evolved
gas
(EGA)
concepts
with
soft
photoionization
mass
spectrometry
(PIMS)
were
successfully
deployed
for
numerous
challenges.
On
one
hand,
is
highly
versatile
technique
allows
"soft"
ionization
analyte
molecule,
preserving
information.
other
multiple
exist
unique
benefits,
loss
information
thermogravimetry
coupling,
high-throughput
direct
inlet
probe
concepts,
or
straightforward
reactor
monitoring,
allowing
insights
into
pyrolytic
transformation
processes.
Hence,
review
aims
to
summarize
recent
work
field
EGA–PIMS.
After
technical
thermal
applied
studies
are
summarized,
discussed,
evaluated.
Besides
fuels,
alternatives
from
renewable
pyrolysis,
recycling
processes,
reviewed.
Finally,
future
perspectives
given,
highlighting
importance
those
schemes
together
state-of-the-art
detection
by
high-resolution
energy
fuels
research.
Molecules,
Год журнала:
2022,
Номер
27(24), С. 8889 - 8889
Опубликована: Дек. 14, 2022
The
conversion
of
lignocellulosic
biomass
by
pyrolysis
or
hydrothermal
liquefaction
gives
access
to
a
wide
variety
molecules
that
can
be
used
as
fuel
building
blocks
in
the
chemical
industry.
For
such
purposes,
it
is
necessary
obtain
their
detailed
composition
adapt
process,
including
upgrading
steps.
Petroleomics
has
emerged
an
integral
approach
cover
missing
link
investigation
bio-oils
and
linked
products.
It
relies
on
ultra-high-resolution
mass
spectrometry
attempt
unravel
contribution
many
compounds
complex
samples
non-targeted
approach.
most
recent
developments
petroleomics
partially
alter
discriminating
nature
analyses.
However,
peak
referring
one
formula
possibly
hides
forest
isomeric
compounds,
which
may
present
large
diversity
concerning
functions.
This
identification
functions
essential
context
bio-oils.
latest
dedicated
this
analytical
challenge
will
reviewed
discussed,
particularly
integrating
ion
source
features
incorporating
new
steps
workflow.
representativeness
data
obtained
petroleomic
still
important
issue.
Journal of the American Society for Mass Spectrometry,
Год журнала:
2023,
Номер
34(10), С. 2232 - 2246
Опубликована: Авг. 28, 2023
"Top-down"
proteomics
analyzes
intact
proteins
and
identifies
proteoforms
by
their
mass
as
well
the
observed
fragmentation
pattern
in
tandem
spectrometry
(MS/MS)
experiments.
Recently,
hybrid
ion
mobility
spectrometry–mass
(IM/MS)
methods
have
gained
traction
for
top-down
experiments,
either
allowing
analysis
of
individual
isomers
or
alternatively
improving
signal/noise
dynamic
range
fragment
assignment.
We
recently
described
construction
a
tandem-trapped
spectrometer/mass
spectrometer
(tandem-TIMS/MS)
coupled
with
an
ultraviolet
(UV)
laser
demonstrated
proof-of-principle
UV
photodissociation
(UVPD)
at
2–3
mbar.
The
present
work
builds
on
this
exploration
method
that
couples
tandem-TIMS/MS
UVPD
parallel-accumulation
serial
(PASEF)
MS/MS
analysis.
first
survey
types
structures
UVPD-specific
ions
generated
mbar
pressure
regime
our
instrument.
Notably,
we
observe
UVPD-induced
multiple
conformations
differ
from
those
produced
absence
irradiation.
Subsequently,
discuss
how
spectra
lend
themselves
ideally
probability-based
scoring
developed
bottom-up
field
ability
to
record
automated
PASEF-MS/MS
resolves
ambiguities
assignment
ions.
Finally,
describe
coupling
workflows
native
protein
ACS ES&T Water,
Год журнала:
2024,
Номер
4(4), С. 1483 - 1497
Опубликована: Фев. 23, 2024
Environmental
reclamation
of
Canada's
oil
sands
tailings
ponds
is
among
the
single
largest
water
treatment
challenges
globally.
The
toxicity
process-affected
(OSPW)
has
been
associated
with
its
dissolved
organics,
a
complex
mixture
naphthenic
acid
fraction
components
(NAFCs).
Here,
we
evaluated
solar
buoyant
photocatalysts
(BPCs)
as
passive
advanced
oxidation
process
(P-AOP)
for
OSPW
remediation.
Photocatalysis
fully
degraded
acids
(NAs)
and
extractable
organics
(AEO)
in
3
different
samples.
However,
classical
NAs
AEO,
traditionally
considered
principal
toxicants
OSPW,
were
not
correlated
herein.
Instead,
nontarget
petroleomic
analysis
revealed
that
low-polarity
organosulfur
compounds,
composing
<10%
total
apparently
accounted
majority
waters'
to
fish,
described
by
model
tissue
partitioning.
These
findings
have
implications
release,
which
less
extensive
but
more
selective
may
be
required
than
previously
expected.