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Towards rational design of solid acid catalysts

Thomas, JM; Lewis, DW; (1996) Towards rational design of solid acid catalysts. Z PHYS CHEM , 197 37 - 48.

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Abstract

We discuss in this article methodologies and strategies for rational design of solid acid catalysts. In particular we will demonstrate how a new computational technique, de novo molecular design, is effective in suggesting new template molecules which can be utilised in the synthesis of target solids. A new microporous aluminophosphate-based catalyst, DAF-4, was prepared which is effective for converting methanol to light olefins. Other methodologies which may prove effective in designing new materials are also discussed.

Type:Article
Title:Towards rational design of solid acid catalysts
Keywords:catalyst, design, computer-modelling, rational, NICKEL SILICOALUMINOPHOSPHATE CATALYST, STRUCTURE GENERATION, DRUG DESIGN, DIFFRACTION, CONVERSION, CHEMISTRY, METHANOL, PROGRAM, BINDING, SEARCH
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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