Towards rational design of solid acid catalysts.
Z PHYS CHEM
37 - 48.
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.
|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
UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry
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