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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
User Contributions:
Comment about this article or add new information about this topic:
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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: A spin-probe study of the modification of the hydration of SDS micelles by insertion of sugar-based nonionic surfactant molecules
- Abstracts: Monte Carlo simulation of total radial distribution functions for interlayer water in Li-, Na-, and K-montmorillonite hydrates
- Abstracts: Correlation between local and long-range structure in compressible supercritical Lennard-Jones Fluids: state-point dependencelyuin
- Abstracts: Correlation between local and long-range structure in compressible supercritical Lennard-Jones Fluids: state-point dependencelyuin. part 2
- Abstracts: Nonlinear optical spectroscopic studies of energy transfer in phospholipid bilayer liposomes embedded with porphyrin sensitizers