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Modelling of structure, sorption, synthesis and reactivity in catalytic systems

Catlow, C.R.A., Ackermann, L., Bell, R.G., Gay, D.H., Holt, S., Lewis, D.W., Nygren, M.A., Sastre, G., Sayle, D.C., Sinclair, P.E. and others. (1997) Modelling of structure, sorption, synthesis and reactivity in catalytic systems. Journal of Molecular Catalysis A: Chemical, 115 (3). pp. 431-448. ISSN 1381-1169. (doi:10.1016/S1381-1169(96)00349-4) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:46835)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)
Official URL
http://dx.doi.org/10.1016/S1381-1169(96)00349-4

Abstract

We illustrate the current status of the application of computer modelling methods to catalytic systems by taking recent examples from modelling of both long range and local structural properties of microporous materials, surface structures of oxides, sorption in zeolites, host-template interactions in aluminophosphates and reaction mechanisms on oxide surfaces and at acid sites in zeolites. We emphasise the role of modelling techniques in the interpretation of experimental studies in catalysis.

Item Type: Article
DOI/Identification number: 10.1016/S1381-1169(96)00349-4
Subjects: Q Science
Divisions: Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Dean Sayle
Date Deposited: 20 Mar 2015 16:12 UTC
Last Modified: 23 Jan 2020 04:09 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46835 (The current URI for this page, for reference purposes)
Sayle, D.C.: https://orcid.org/0000-0001-7227-9010
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