A
dozen
chemical
reaction
engineers
from
academia
and
industry
recently
published
a
sequel
to
the
“Vision
2020:
Reaction
Engineering
Roadmap,”
in
2001.
In
this
webinar,
that
team
of
authors
will
provide
summary
our
issued
perspective
paper,
2050:
available
ACS
Au.
This
webinar
follow
format
recent
with
brief
summaries
perspectives
regarding
field
engineering
context
four
sectors
(basic
chemicals,
specialty
pharmaceuticals,
polymers)
five
technology
areas
(reactor
system
selection,
design
scale-up,
mechanism
development
property
estimation,
catalysis,
nonstandard
reactor
types,
electrochemical
systems).
seminar
feature
multiple
speakers,
subset
corresponding
paper's
authors.
The
entire
coauthor
is
as
follows:
Praveen
Bollini
(U.
Houston),
Moiz
Diwan
(Abbvie),
Pankaj
Gautam
(SABIC),
Ryan
Hartman
(New
York
U.),
Dan
Hickman
(Dow),
Marty
Johnson
(Eli
Lilly),
Moto
Kawase
(Kyoto
Matt
Neurock
Minnesota),
Gregory
Patience
(Polytechnique
Montréal),
Alan
Stottlemyer
Dion
Vlachos
Delaware),
Ben
Wilhite
(Texas
M).
The Journal of Organic Chemistry,
Год журнала:
2024,
Номер
89(11), С. 7962 - 7969
Опубликована: Май 23, 2024
Described
herein
is
the
development
of
an
automated
and
reproducible
process
for
conversion
primary
amines
to
organic
azides
utilizing
prepacked
capsules
containing
all
required
reagents,
including
imidazole-1-sulfonyl
azide
tetrafluoroborate.
Apart
from
manually
loading
amine
into
reaction
vessel,
entire
product
isolation
can
be
achieved
automatically,
with
no
further
user
involvement,
delivers
desired
in
high
purity.
This
practical
simple
capsule-based
method
offers
a
convenient
safe
way
generating
without
handling
or
exposure
potentially
explosive
reagents.
Journal of Cheminformatics,
Год журнала:
2024,
Номер
16(1)
Опубликована: Авг. 13, 2024
Chemical
engineers
heavily
rely
on
precise
knowledge
of
physicochemical
properties
to
model
chemical
processes.
Despite
the
growing
popularity
deep
learning,
it
is
only
rarely
applied
for
property
prediction
due
data
scarcity
and
limited
accuracy
compounds
in
industrially-relevant
areas
space.
Herein,
we
present
a
geometric
learning
framework
predicting
gas-
liquid-phase
based
novel
quantum
datasets
comprising
124,000
molecules.
Our
findings
reveal
that
necessity
quantum-chemical
information
models
varies
significantly
depending
modeled
property.
Specifically,
our
top-performing
meets
most
stringent
criteria
"chemically
accurate"
thermochemistry
predictions.
We
also
show
by
carefully
selecting
appropriate
featurization
evaluating
uncertainties,
reliability
predictions
can
be
strongly
enhanced.
These
insights
represent
crucial
step
towards
establishing
as
standard
workflow
both
industry
academia.
Scientific
contribution
propose
flexible
tool
handle
two-dimensional
three-dimensional
molecular
information.
A
methodology
achieves
high-level
chemistry
broad
application
range
presented.
Trained
large
databases
real-world
molecules
are
provided
offer
directly
usable
fast
solution
practitioners.
Applied Sciences,
Год журнала:
2024,
Номер
14(15), С. 6673 - 6673
Опубликована: Июль 31, 2024
This
study
details
the
unique
advantages
and
challenges
associated
with
microreactors.
Microreactors
offer
rapid
installation
flexible
application
capabilities,
meeting
energy
needs
in
remote
inaccessible
areas.
Unlike
large
nuclear
power
plants,
they
can
be
set
up
start
generating
within
a
few
days,
resulting
significant
time
cost
savings.
Their
small
size
modular
design
reduce
capital
operational
costs
while
enhancing
economic
competitiveness.
However,
some
technical
regulatory
persist
for
widespread
adoption
of
Licensing
processes
designed
plants
may
delay
Blockchain
technology
play
crucial
role
overcoming
these
by
providing
transparency
reliability
licensing
processes.
The
settings
microreactors
should
carefully
considered,
authorities
must
effectively
designated.
Collaboration
coordination
are
vital
this
process.
Consequently,
flexibility
innovative
solutions
offered
highlight
importance
future
research
to
examine
optimal
conditions
their
use.
The Journal of Physical Chemistry A,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 4, 2025
Microkinetic
modeling
of
heterogeneous
catalysis
serves
as
an
efficient
tool
bridging
atom-scale
first-principles
calculations
and
macroscale
industrial
reactor
simulations.
Fundamental
understanding
the
microkinetic
mechanism
relies
on
a
combination
experimental
theoretical
studies.
This
Perspective
presents
overview
latest
progress
approaches
applied
to
gas-solid
catalytic
kinetics.
Then,
opportunities
challenges
are
presented
based
recent
research
in
combustion
chemistry.
For
approaches,
importance
ideal
reactors,
structured
catalysts,
precise
elementary
rate
measurements
is
emphasized.
Additionally,
integrating
spatiotemporally
resolved
