Acidity effect on benzene methylation kinetics over substituted H-MeAlPO-5 catalysts

Methylation of aromatic compounds is a key reaction step in various industrial processes such as the cycle methanol-to-hydrocarbons chemistry. The study isolated methylation reactions and influence catalyst acidity on their kinetics challenging task. Herein, we have studied unidirectional metal-substituted H-MeAlPO-5 materials to evaluate effect acid strength benzene with DME. First-principle simulations showed direct correlation between barrier site strength, which depends metal substituent. Three catalysts high (Me = Mg), moderate Si) low Zr) were experimentally tested, confirming linear relationship activation energy strength. effects temperature reactant partial pressure evaluated, showing significant differences byproduct distribution H-MgAlPO-5 H-SAPO-5. Comparison propene suggested that Mg substituted also most active for selective alkenes.