• Recovery of alcohols from aqueous media by adsorption onto silicicalite-1 and silicalite-2 Pore filling mechanisms are mostly driven hydrogen bonding Coordination with the zeolite is mainly controlled energetic entropic factors for water respectively Despite MFI/MEL methanol/ethanol similarities, affected co-adsorbed alcohol Relatively more selective short into MFI compared to MEL Ethanol oth...

The downscaling of feature sizes in integrated circuits (IC) requires on-chip interconnects with low dielectric constant layers (low-k) that mitigate the increase in propagation delay and power consumption. Several candidate low-k materials based on porous silicates have been proposed. Whereas porosity is beneficial for lowering the dielectric constant, it has detrimental effects on the mechani...

0021-9517/$ see front matter 2009 Elsevier Inc. A doi:10.1016/j.jcat.2009.10.015 * Corresponding author. Address: Goesmann 222, Amherst, MA 01003-9336, USA. Fax: +1 413 545 4490 E-mail addresses: [email protected] (V. Ag (G.W. Huber), [email protected] (W.C. Conner edu (S.M. Auerbach). We have performed embedded-cluster calculations using density functional theory to investigate mechan...

A detailed study of the luminescence decay curves of pyrene included within p-tert-butylcalix[4]arene cavities and benzophenone into silicalite channels is reported. A new methodology for a lifetime distribution analysis of the decay curve of probes onto heterogeneous surfaces is presented, which allows for asymmetric distributions and uses Voigt profiles (Gaussian and Lorentzian mixture) inste...

We have performed molecular dynamics (MD) simulations of zeolite-guest systems driven by microwaves (MW), to study how energy is distributed in these systems as a function of guest loading. Expanding on a previously published communication [Blanco, C.; Auerbach, S. M. J. Am. Chem. Soc. 2002, 124, 6250.], we have found that MW-driven MD with the Andersen thermostat gives robust steady states, wh...

A procedure has been developed to prepare ultra-thin zeolite films supported on Si(1 0 0). Films were prepared by spin-coating a solution of Silicalite-1 zeolite precursors diluted in ethanol, followed by hydration in water vapour and heating to 60 C. High resolution transmission electron microscopy analysis of sample cross-sections shows that the surfaces are both smooth and continuous, and fi...

This study evaluated Al-ZSM-5 nanocrystals grown from silicalite-1 seed crystals as catalysts for the methane dehydroaromatization (MDA) reaction. Silicalite-1 sized between 30 and 40 nm were used to grow under various synthesis conditions. The size of was significantly affected by Si/Al ratio (SAR), time, silica nutrients/seed crystal (NSR). Larger obtained with an increased SAR in sols. Gradu...

The influence of the particle ‘‘memory’’ on long-range diffusion in the channel network of silicalite is taken into account by considering pairs of subsequent steps between the channel intersections. It is shown that in this case the correlation rule between the principal elements of the diffusion tensor has to be modified by including an additional term, which takes account of the deviation of...

Upon addition of gold to silicalite-1 pellets (a MFI-type zeolite), the vapor phase oxidation of ethanol could be addressed to acetaldehyde or acetic acid formation. By optimizing the catalyst composition and reaction conditions, the conversion of ethanol could be tuned to acetaldehyde with 97% selectivity at 71% conversion or to acetic acid with 78% selectivity at total conversion. Considering...

Titanium-substituted silicalites, prepared from two different silicalite precursors, are characterized using Raman spectroscopy, X-ray absorption spectroscopy, pyridine adsorption, and methanol oxidation. The silicalite precursors used are tetraethyl orthosilicate and Ludox AS 40. Two different types of titania species are observed in the titania silicalites. Below 1.6 mole% Ti/(Ti + Si), a dis...