Molecular dynamics investigations of the mutual diffusion coefficients in an Ar-Kr mixture confined in the zeolite NaY are reported. Velocity auto- and cross correlations were computed at two different temperatures (200 and 600 K). The importance of the appropriate choice of reference frame while evaluating the time correlation functions is illustrated for argon in the zeolite NaY. Mutual diffu...

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...

In this work, a new synthesized Y-type zeolite with an Si/Al molar ratio of 2.5 (NaY) was modified with amines, in order to probe the influence of the modification of the adsorbent’s surface on CO2 adsorption. The three selected amines were diethanolamine, tetraethylenepentamine, and 2- methylaminoethanol. The surface nature of NaY was changed after amine modification, which causes a...

In order to investigate the gas separation ability of a column packed with nanozeolitic material, nano NaY zeolite was synthesized and granulated. These uniform granules packed in a chromatographic column were utilized for separation of Xe and Kr under various operating conditions. With regards to the response peaks obtained from trace injections of Xe and Kr into the column, the first and seco...

This work presents the recovery of biosorption supports as an alternative source of benign production of heterogeneous catalysts for oxidation reactions in mild conditions. Cr-containing FAU zeolite, in sodium form (NaY) and in proton form (HY), was recovered from biosorption studies and reused as support for the preparation of heterogeneous catalysts by the flexible ligand method, using 1,3-di...

Background: Formaldehyde is one of the most serious air contaminant that can be found everywhere. Some of the source of formaldehyde include product of building materials, decorated materials, cigarette smoke, etc. Aldehydes compounds especially formaldehyde are used as disinfectants for sterilization in different industries. In this study we measured formaldehyde workplace exposure with NIOS...

in order to investigate the gas separation ability of a column packed with nanozeolitic material, nano nay zeolite was synthesized and granulated. these uniform granules packed in a chromatographic column were utilized for separation of xe and kr under various operating conditions. with regards to the response peaks obtained from trace injections of xe and kr into the column, the first and seco...

Poly(vinylidene fluoride) electrospun membranes have been prepared with different NaY zeolite contents up to 32%wt. Inclusion of zeolites induces an increase of average fiber size from ~200 nm in the pure polymer up to ~500 nm in the composite with 16%wt zeolite content. For higher filler contents, a wider distribution of fibers occurs leading to a broader size distributions between the previou...

The surfaces of platinum clusters in the supercages of NaY zeolite have been studied by ' Xe NMR over the temperature range 80—293 K. The sensitivity of this weakly perturbing technique makes it possible to reveal the heterogeneity of the electronic structure of the particle surface. The temperature dependence of the ' Xe spin-lattice relaxation indicates that the surface sites with the highest...

Herein we report the synthesis of unsymmetrical meso-aryl substituted porphyrins, using NaY zeolite as an inorganic acid catalyst. A comparative study between this method and the several synthetic strategies available in the literature was carried out. Our method presented a better, more cost-efficient rationale and displayed a significantly lower environmental impact. Furthermore, it was possi...