A DFT modeling of the transition state of oxidative dehydrogenation of ethylbenzene over zirconium vanadate catalyst has been carried out. Computations confirm a Mars-Van-Krevelen type redox mechanism in which the catalyst abstracts a hydrogen atom from the hydrocarbon and catalyst is reduced. The reduced catalyst is reoxidized by oxygen from air. Computations suggest the formation of a hydroxy...

Ethylbenzene (EB) dehydrogenation to styrene (SM) on an industrial scale is generally performed using classic and SMART (Styrene Monomer Advanced Reheat Technology) technologies. In the current study, spent catalysts structural changes through classic and SMART technologies were investigated and compared with the fresh catalyst. For this purpose, XRF, XRD, SEM-EDX, FT-IR, BET and crushing s...

Catalytic membrane reactors are multifunctional reactors, which provide improved performance over conventional reactors. These are used mainly for conducting hydrogenation/ dehydrogenation reactions, and synthesis of oxyorganic compounds by using inorganic membranes. In this paper, comprehensive model has been developed for a tubular membrane reactor, which is applicable to Pd or Pd alloys memb...