Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity
B Smit, TLM Maesen - Chemical reviews, 2008 - ACS Publications
Zeolites are intriguing materials. The basic building blocks are corner sharing TO4 units,
where the T-atoms usually refer to Si, Al, or in some cases also P. These tetrahedrals can …
where the T-atoms usually refer to Si, Al, or in some cases also P. These tetrahedrals can …
Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions
Adsorption isotherms and isosteric heats of adsorption for benzene and p-xylene in silicalite
have been calculated from molecular simulations. The simulations were performed using …
have been calculated from molecular simulations. The simulations were performed using …
Refinement of pore size at sub-angstrom precision in robust metal–organic frameworks for separation of xylenes
X Li, J Wang, N Bai, X Zhang, X Han, I Da Silva… - Nature …, 2020 - nature.com
The demand for xylenes is projected to increase over the coming decades. The separation
of xylene isomers, particularly p-and m-xylenes, is vital for the production of numerous …
of xylene isomers, particularly p-and m-xylenes, is vital for the production of numerous …
GIS-NaP1 zeolite microspheres as potential water adsorption material: Influence of initial silica concentration on adsorptive and physical/topological properties
GIS-NaP1 zeolite samples were synthesized using seven different Si/Al ratios (5–11) of the
hydrothermal reaction mixtures having chemical composition Al2O3: x SiO2: 14Na2O …
hydrothermal reaction mixtures having chemical composition Al2O3: x SiO2: 14Na2O …
Adsorption Equilibria of C1 to C4 Alkanes, CO2, and SF6 on Silicalite
Adsorption isotherms of methane, ethane, propane, n-butane, isobutane, carbon dioxide,
and sulfur hexafluoride were measured gravimetrically on silicalite crystals at temperatures …
and sulfur hexafluoride were measured gravimetrically on silicalite crystals at temperatures …
Separation and isomerization of xylenes using zeolite membranes: a short overview
During the last 30 years, there has been a great evolution in p‐xylene production
technology, with many equipment improvements being instituted in the industry. Typically …
technology, with many equipment improvements being instituted in the industry. Typically …
A mechanistic study of Lewis acid-catalyzed covalent organic framework formation
EL Spitler, MR Giovino, SL White, WR Dichtel - Chemical Science, 2011 - pubs.rsc.org
Three boronate ester-linked covalent organic frameworks (COFs) were synthesized using a
new approach that employs polyfunctional boronic acid and acetonide-protected catechol …
new approach that employs polyfunctional boronic acid and acetonide-protected catechol …
Adsorption of volatile organic compounds in pure silica CHA,∗ BEA, MFI and STT-type zeolites
AF Cosseron, TJ Daou, L Tzanis, H Nouali… - Microporous and …, 2013 - Elsevier
Four pure silica zeolites, chabazite (CHA-structure type) and SSZ-23 (STT-structure type)
with cage-like structure and silicalite-1 (MFI-structure type) and beta (∗ BEA-structure type) …
with cage-like structure and silicalite-1 (MFI-structure type) and beta (∗ BEA-structure type) …
Aqueous-phase dehydration of xylose to furfural in the presence of MCM-22 and ITQ-2 solid acid catalysts
The H-MCM-22 zeolite possessing an MWW (medium-pore) framework and its delaminated
counterpart, ITQ-2, with enhanced external surface area, are effective and recyclable solid …
counterpart, ITQ-2, with enhanced external surface area, are effective and recyclable solid …
Adsorption Equilibria of C5−C10 Normal Alkanes in Silicalite Crystals
Adsorption isotherms of n-pentane to n-decane were measured gravimetrically on silicalite
crystals at temperatures ranging from 30 to 150° C and at pressures up to 1333 Pa. The …
crystals at temperatures ranging from 30 to 150° C and at pressures up to 1333 Pa. The …