Buscar
Mostrando ítems 21-30 de 549
A DFT study of dopant (Zr, Nb) and vacancies on the dehydrogenation on MgH2 (001) surface
(Elsevier, 2013-11)
Ab initio calculations were used to study dehydrogenation energy in a set of systems,pure,Nb- or Zr-doped, free of defects and containing vacancy-like defects MgH2(001) surface. The preferential location site for dopants ...
Operando DRIFTS and DFT Study of Propane Dehydrogenation over Solid- and Liquid-Supported GaxPty Catalysts
(American Chemical Society, 2019-04)
Supported catalytically active liquid metal solutions (SCALMS) represent a class of catalytic materials that have only recently been developed, but have already proven to be highly active, e.g., for dehydrogenation reactions. ...
Upgrading of diols by gas-phase dehydrogenation and dehydration reactions on bifunctional Cu-based oxides
(Royal Society of Chemistry, 2014-06)
Biomass-derived short chain polyols can be transformed in valuable oxygenates used as building blocks. The gas phase conversion of a model molecule of 1,3-diols (1,3-butanediol) was studied on bifunctional Cu-Mg, Cu-Al and ...
Hydrogen-selective natural mordenite in a membrane reactor for ethane dehydrogenation
(Elsevier, 2014-02)
Lab-scale ethane dehydrogenation experiments with natural mordenite disks in a membrane reactor showed an increase in ethane conversion and ethylene yield compared to their equilibrium values. Experiments performed with ...
A theoretical study of cyclopentene (c-C5H8) dehydrogenation to cyclopentadienyl anion (c-C5H5−) on Ni (111)
(Elsevier Science, 2009-12)
The cyclopentene (c-C5H8) dehydrogenation to cyclopentadienyl anion (c-C5H5−) on Ni (1 1 1) is studied using density functional theory (DFT) calculations. The Ni (1 1 1) surface was modeled through a unit cell of 64-atoms, ...
Characterization and catalytic behavior in the n-butane dehydrogenation of trimetallic InPtSn/MgAl2O4 catalysts
(Elsevier Science, 2007-12)
This paper deals with the characterization and catalytic dehydrogenation behavior of trimetallic InPtSn catalysts with different Sn content (from 0.12 wt% up to 1.08 wt%) supported on MgAl2O4. The support was initially ...
Effect of CO2 in the oxidative dehydrogenation reaction of propane over Cr/ZrO2 catalysts
(Elsevier B.V., 2018-05-25)
Investigation was made on the effect of chromium content, and method of hydrothermal preparation of Cr/ZrO2 catalysts on their catalytic properties for CO2 oxidative dehydrogenation of propane (ODP). The catalysts were ...
Behavior of bimetallic PtSn/Al2O3 catalysts prepared by controlled surface reactions in the selective dehydrogenation of butane
(Elsevier Science, 2009-03)
The "one-pot" circulation reactor system was used for the modification of Pt/Al2O3 catalyst using Controlled Surface Reactions (CSRs) with the involvement of tetraethyltin. At 40 °C the tin anchoring reaction resulted in ...