Issue 9, 2004
From the journal:

Physical Chemistry Chemical Physics

Adsorption of hydrocarbons in zeolites from molecular simulations. The alkane–ferrierite system revisited

P. Pascualab  and  A. Boutin*a  

* Corresponding authors

a Laboratoire de Chimie Physique, UMR 8000, CNRS, Université Paris-Sud, Bâtiment 349, Orsay, France
E-mail: anne.boutin@lcp.u-psud.fr

b Also at Institut Français du Pétrole, Rueil Malmaison, France

Abstract

The adsorption of linear alkanes in zeolite ferrierite is reinvestigated using a recently developed forcefield based on the anisotropic united atom (AUA) potential scheme with no futher readjustment. The simulation model is able to reproduce the subtle changes in adsorption site occupancies of n-alkanes (n = 3–7) in ferrierite in good agreement with experimental data.

Graphical abstract: Adsorption of hydrocarbons in zeolites from molecular simulations. The alkane–ferrierite system revisited

About
Cited by
Related
Download options Please wait...

Article information

DOI
https://doi.org/10.1039/B403424D
Article type
Communication
Submitted
05 Mar 2004
Accepted
05 Apr 2004
First published
14 Apr 2004

Phys. Chem. Chem. Phys., 2004,6, 2015-2017

Permissions

Request permissions

Adsorption of hydrocarbons in zeolites from molecular simulations. The alkane–ferrierite system revisited

P. Pascual and A. Boutin, Phys. Chem. Chem. Phys., 2004, 6, 2015 DOI: 10.1039/B403424D

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements