Graphene oxides (GOs) may offer extraordinary potential in the design of novel catalytic systems due to the presence of various oxygen functional groups and their unique electronic and structural properties. Using first-principles calculations, we explore the plausible mechanisms for the oxidative dehydrogenation (ODH) of propane to propene by GOs and the diffusion of the surface oxygen-contain...

A series of Pt/Al2O3 catalysts with uniform Pt particle sizes ranging from 0.95 to 2.62 nm was synthesized using the refilling method control growing nanoparticles and evaluated in propane dehydrogenation. An effect size on initial activity TOF demonstrated, smallest particles being most active. geometric model developed quantify surface site concentration for any fcc metal size. Comparing evol...

The importance of solid catalysts for converting petroand bulk chemicals is reflected in the sheer magnitude of their market size: catalysts sales topped nine billion dollars in 2009. This large value mirrors also the increasing academic interest in heterogeneous catalysis research. As far as bulk chemicals (such as ethene, propene, and their derivatives) are concerned, there is a strong demand...

Fifteen distinct MgO–V2O5, MgO–MoO3, MgO–V2O5–MoO3, and V2O5–MoO3 compositions were prepared using sol–gel chemistry and their selectivities and conversions for propane oxidative dehydrogenation (ODH) to propylene were measured. The vanadates were more active than the molybdates at lower temperatures; however, the molybdates exhibited higher selectivities at similar conversions. An increase in ...

The design of selective and stable catalysts is a major challenge in heterogeneous catalysis, also true for propane dehydrogenation (PDH), an on-purpose route to produce propylene. Identifying nonprecious replace Pt used today another formidable task. Herein, we combine kinetic simulations, high-throughput computations, machine-learning concepts, experiments illustrate the key parameters contro...

A packed-bed membrane reactor in a distributor configuration is studied theoretically for the oxidative propane dehydrogenation and compared with fixed-bed reactor. Based on detailed 2D models considering two different heat mass transport scale-up including various reactor-to-particle diameter ratios (D/dP) analyzed respect to performance, transfer hot spot formation. Higher selectivities at lo...

The surface chemistry of adsorbed isopropoxy groups on supported vanadia–alumina and vanadia–silica catalysts was investigated with multiple in situ spectroscopic techniques. The in situ FT-IR, Raman and UV–vis spectroscopic measurements provided molecular level information about the surface intermediates and the surface vanadium oxide species as a function of different conditions. The spectros...