Towards rational design of solid acid catalysts

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.