Dual ensemble Monte Carlo simulation of pervaporation of an ethanol/water binary mixture in silicalite based on a Lennard-Jones interaction model

Article Abstract:

A dual ensemble Monte Carlo (DE-MC) simulation is applied to the study of prevaporation of a Lennard-Jones (LJ) fluid mixture, modeled for an ethanol and water mixture occurring in MFI-type silicalite membrane. The DE-MC calculations were performed with a Lennard-Jones (LJ) interatomic potential that is confirmed to be able to reproduce the experimental adsorption isotherms of water and ethanol as single components on silicalite.

Silicon & Inorganic Compounds, Usage, Water, Monte Carlo method, Monte Carlo methods, Silicon compounds

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An ethoxy intermediate in ethanol dehydration on bronsted acid sites in zeolite

Article Abstract:

Acid-catalyzed ethanol dehydration on zeolite is shown to proceed through a covalent ethoxy group (C2H5O) as a stable intermediate, which was directly observed by IR spectroscopy. Although IR spectra of adsorbed ethanol and ethoxy species were very similar, their stabilities for post-adsorption of d6-ethanol adsorption appeared quite different.

Zeolites, Dehydration (Chemical process)

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Microcalorimetric and infrared studies of ethanol and acetaldehyde adsorption to investigate the ethanol steam reforming on supported cobalt catalysts

Article Abstract:

Microcalorimetric and infrared studies of ethanol and acetaldehyde adsorption were carried out on fresh and deactivated ZnO-supported cobalt catalysts as well as ZnO support. The results were used to analyze the catalytic behavior of these materials for ethanol and acetaldehyde steam-reforming reactions.

All Other Basic Organic Chemical Manufacturing, Cobalt Compounds, Acetaldehyde

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