Diffusion of confined fluids in microporous zeolites and clay materials
Fluids exhibit remarkable variation in their structural and dynamic properties when they are
confined at the nanoscopic scale. Various factors, including geometric restriction, the size …
confined at the nanoscopic scale. Various factors, including geometric restriction, the size …
The effect of molecular shape and pore structure on local and nanoscale cresol behaviour in commercial zeolite catalysts
The behaviour of model lignin derivatives m-and p-cresol within commercial acidic zeolite
catalysts was investigated using a combined quasielastic neutron scattering (QENS) and …
catalysts was investigated using a combined quasielastic neutron scattering (QENS) and …
Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study
The diffusion of methanol in zeolite HY is studied using tandem quasielastic neutron
scattering (QENS) experiments and molecular dynamics (MD) simulations at 300–400 K …
scattering (QENS) experiments and molecular dynamics (MD) simulations at 300–400 K …
Effect of steam de-alumination on the interactions of propene with H-ZSM-5 zeolites
Steam de-alumination is used to prepare a H-ZSM-5 material representative of industrial
acid zeolite catalysts. Characterisation shows extensive loss of zeolite acidity but minimal …
acid zeolite catalysts. Characterisation shows extensive loss of zeolite acidity but minimal …
Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study
Quasielastic neutron scattering (QENS) experiments complemented by classical molecular
dynamics (MD) simulations at 393–443 K were employed in a study of the mobility and …
dynamics (MD) simulations at 393–443 K were employed in a study of the mobility and …
[HTML][HTML] The effect of pore structure on the local and nanoscale mobility of anisole and guaiacol in commercial zeolite catalysts
KSC Morton, M Appel, CLM Woodward… - Microporous and …, 2025 - Elsevier
The dynamical behaviour of common lignin derivatives anisole and guaiacol within
commercial acidic zeolite catalysts was investigated using quasielastic neutron scattering …
commercial acidic zeolite catalysts was investigated using quasielastic neutron scattering …
Sorbate dynamics in zeolite catalysts
Microporous catalysts, in particular zeolites, are among the most intensively investigated
systems in materials chemistry owing to the intrinsic challenges they provide in the …
systems in materials chemistry owing to the intrinsic challenges they provide in the …
Diffusion of acetylene inside zeolite: Molecular dynamics simulation studies
Dynamics of acetylene molecules adsorbed in Na-Y zeolite cages is investigated using
molecular dynamics simulation. The translational motion of the acetylene molecules is …
molecular dynamics simulation. The translational motion of the acetylene molecules is …
Dynamics of adsorbed hydrocarbon in nanoporous zeolite framework
We report quasielastic neutron scattering (QENS) and molecular dynamics (MD) simulation
study of the dynamics of propylene molecules adsorbed in Na-ZSM5 zeolite. MD simulation …
study of the dynamics of propylene molecules adsorbed in Na-ZSM5 zeolite. MD simulation …
Quasielastic neutron scattering and molecular dynamics simulation study on the molecular behaviour of catechol in zeolite beta
The dynamics of catechol in zeolite Beta was studied using quesielastic neutron scattering
(QENS) experiments and molecular dynamics simulations at 393 K, to understand the …
(QENS) experiments and molecular dynamics simulations at 393 K, to understand the …