High-throughput study of the iron promotional effect over Pt/WOx–ZrO2 catalysts on the skeletal isomerization of n-hexane

Simultaneous removal of PM and NOx over highly efficient 3DOM W/Ce0.8Zr0.2O2 catalysts

“…ZrO 2 showed characteristic bands at 349, 380, 561 and 619 cm À1 for monoclinic ZrO 2 as well as the bands at 318, 478 and 645 cm À1 ascribed to tetragonal ZrO 2 38. For the 3DOM 0.8% W/ZrO 2 sample, two obvious peaks centered at 274 and 321 cm À1 were found, which were related to the characteristic bands of the m-WO 3 phase 39. Peaks centered at 274, 714, 806 and 968 cm À1 assigned to the m-WO 3 phase were detected on the 3% W/Ce 0.8 Zr 0.2 O 2 sample.…”

Modeling the n-Hexane Isomerization over Iron Promoted Pt/WOx-ZrO2 Catalysts Using Artificial Neural Networks

“…Presently, an ANN-based approach was applied to model the n -hexane hydroisomerization reaction over platinum supported on tungstated zirconia (Pt/WO x -ZrO 2 ) catalysts doped with different iron contents. This particular reaction was experimentally studied by Hernández-Pichardo et al . by using HTE techniques; details about the corresponding experimental equipment and procedure are given by the same authors.…”

“…The Supporting Information gives the experimental catalyst activities obtained by the authors in terms of selectivity ( S ) and yield ( Y ) of 2,2-DMB; the other isomer (2,3-DMB) produced by the reaction, reached the equilibrium conditions much faster than 2,2-DMB and according to the authors, the product to maximize was therefore the yield of 2,2-DMB.…”

“…One of the most studied reactions for the normal C 5 –C 6 isomerization is the one using platinum supported on tungstated zirconia; − in particular, the n -hexane isomerization over this type of catalyst mainly produces 2-methylpentane (2-MP), 3-methylpentane (3-MP), 2,3-dimethylbutane (2,3-DMB), and 2,2-dimethylbutane (2,2-DMB) as well as some cracking products, where the biramified products exhibit the higher octane number. In general, the high activity and selectivity of the aforementioned catalyst depend not only on the composition of its materials but also on its various synthesis methodologies thus making the development and testing of this type of catalysts, to some extent, an inefficient and time-consuming process.…”

“…Consequently, the purpose of the present work was to assess and confirm the suitability of this hybrid HTE-ANN approach during the modeling of the hydroisomerization reaction of n -hexane over platinum supported on tungstated zirconia (Pt/WO x -ZrO 2 ) catalysts doped with different iron contents. More specifically, using available experimental catalytic data for this reaction, previously measured by Hernández-Pichardo et al through HTE, the aim of this study was to obtain a well trained ANN capable of adequately predicting the optimum value of iron content that ensures the highest possible yields of the 2,2-DMB isomer.…”