Molecules,
Journal Year:
2024,
Volume and Issue:
29(19), P. 4709 - 4709
Published: Oct. 4, 2024
The
esterification
of
1-methoxy-2-propanol
(PM)
and
acetic
acid
(AA)
is
an
important
reaction
for
the
production
1-methoxy-2-propyl
acetate
(PMA).
Herein,
we
used
macroporous
ion-exchange
resin
Amberlyst-35
as
a
catalyst
to
explore
effects
conditions
on
rate
equilibrium
yield
PMA.
Under
optimized
temperature
353
K,
using
initial
reactant
PM/AA
with
molar
ratio
1:3,
loading
10
wt%,
PMA
reached
78%,
which
highest
so
far.
constants
activity
coefficients
were
estimated
obtain
thermodynamic
properties,
indicating
exothermicity
reaction.
Furthermore,
pseudo-homogeneous
(PH),
Eley–Rideal
(ER),
Langmuir–Hinshelwood–Hougen–Watson
(LHHW)
kinetic
models
fitted
based
experimental
data.
results
demonstrate
that
LHHW
model
most
consistent
data,
surface
reaction-controlled
process
exhibiting
apparent
activation
energy
62.0
±
0.2
kJ/mol.
This
work
represents
valuable
example
calculating
thermodynamics
kinetics,
are
particularly
essential
promising
industrial
reactor
designs.
Molecular Physics,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 7, 2025
Cis-2-butene
and
trans-2-butene
are
highly
flammable
hazardous
vapours
that
commonly
evolved
in
the
production
of
various
chemicals,
such
as
plastics,
rubbers,
resins.
In
this
research
work,
we
used
hydrogenated
fullerite
C24
nanosheets
a
sensing
material
to
detect
cis-2-butene
trans-2-butene.
Firstly,
structural
firmness
is
studied
through
cohesive
formation
energy.
Furthermore,
PDOS
maps
energy
band
structures
utilised
comprehend
electronic
properties
base
material.
The
gap
has
been
calculated
be
2.785
eV.
By
analysing
adsorption
energy,
Mulliken
charge
transfer,
relative
variations,
can
understand
isomers
on
energies
ranging
from
–
0.256
1.752
eV
confirm
both
physically
adsorbed
C24.
Altogether,
results
conclude
could
vicinity.
