Issue 5, 1989

Simulation studies of reactive molecules in zeolites

Abstract

This paper describes the use of Mott–Littleton calculations to study hydrocarbon molecules in zeolites. The energetics and the geometry of adsorption of methanol and ethene molecules inside the pores of silicalite and ZSM-5 zeolite are reported.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1989,85, 497-503

Simulation studies of reactive molecules in zeolites

R. Vetrivel, C. R. A. Catlow and E. A. Colbourn, J. Chem. Soc., Faraday Trans. 2, 1989, 85, 497 DOI: 10.1039/F29898500497

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.

Spotlight

Advertisements