The hydrolysis of nitriles in presence of NaY zeolite under microwave irradiations gives corresponding amide in high yield in few minutes.

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...

The thermal conductivities of quartz and the siliceous zeolites sodalite, faujasite and zeolite-A have been calculated using molecular dynamics simulations. The predicted thermal conductivities range over one order of magnitude at room temperature, and the quartz values are in reasonable agreement with the available experimental data. Evidence of phonon scattering is found by considering the la...

Ultrathin MFI-zeolite nanosheets can be packed on porous supports to create molecular sieve membranes. The nanosheets on porous support reduce morphological damage seen in regular MFIzeolite crystals [1]. MFI-zeolite belongs to pentasil family of zeolites where the periodic building unit (PerBU) is composed of 12 interconnected SiO4 tetrahedral (T12) units of 41m2 (D2d) symmetry [2]. Rotation o...

UNLABELLED BACKGROUND It is imperative to eliminate bacteria present in water in order to avoid problems in healthy. Escherichia coli and Salmonella typhi bacteria are two common pollutants and they are developing resistance to some of the most used bactericide. Therefore new biocide materials are being tested. Thus, gold nanoparticles are proposed to inhibit the growth of these two microorg...

Nonequilibrium molecular dynamics simulations show that steady-state systems obtained by microwave heating are qualitatively different from those at thermal equilibrium. This difference arises because energy transfer from hotter to colder species is not efficient enough to equilibrate the distribution of energy. Under nonequilibrium conditions, we found that microwave radiation can selectively ...

A bimetallic precursor route toward the encapsulation of subnanometer tin-transition metal alloy clusters in zeolites is presented. The intrazeolite chemistry and thermal stability of MesSnCo(CO)4 in NaY zeolite were studied with X-ray absorption spectroscopy (Sn, Co edge EXAFS) and in-situ FTIR/TPD-MS techniques. In the NaY host, the intact precursor is physically adsorbed from hexane solution...

Preparative high pressure liquid chromatography on US-Y zeolite shape-selective molecular sieve was studied for carbon isotopic fractionation e€ects. We tested a standard mixture [17b, 21b(H)-hopane, 5a-cholestane] and complex natural hydrocarbon mixtures dominated by tetraand pentacyclic triterpenoids extracted from Oxford Clay shales. We con®rmed that steroids and hopanoids were separated on ...

Nanoscale manganese oxides within Faujasite zeolite have been synthesized with a simple method and characterized by scanning electron microscopy, X-ray diffraction spectrometry, N(2) adsorption-desorption isotherms, transmission electron microscopy, and atomic absorption spectroscopy. These oxides showed efficient water oxidizing activity in the presence of cerium(IV) ammonium nitrate as a non-...