Computational Studies of the Methanol to Gasoline Process – Improved Catalysts and Processes
Computational Studies of the Methanol to Gasoline Process – Improved Catalysts and Processes
3 Pagesaccelrys.com CASE STUDY 1 The study demonstrates that DFT is a powerful tool for studying zeolite-catalyzed reactions. The method provides quantitative predictions about thermochemistry and energy barriers, and in addition provides insight at the molecular level, which can be used in the development of new catalysts. Module used • M a t er ials S tudio — DM ol 3 Industry sectors • Catalysis • P etr ochemicals CoMpuT aTIonal STuDIeS oF The
