This paper presents the results of a study on catalytic activity and selectivity nickel palladium catalysts in hydrogenation reactions nitro- acetylene compounds. It was shown that phenylacetylene depend nature modifying additives (Cu, Zn, Ti, Cr, Bi, Ti–Cu, Mn, Fe), based polymer metal complexes depends method their preparation. found for certain concentrations active phase (0.8 wt.%) potassiu...

Single-atom catalysts show a promising future in many reactions even though great challenges still remain such as facile synthesis and long stability. In this work, single-atom Pd catalyst attached to designed N8 Lewis base species (Pd1-N8/CNT) is synthesized with cyclic voltammetry (CV) method. The demonstrates stability enhanced C2H4 selectivity selective hydrogenation of acetylene at 40 °C. ...

In the present work, based on numerical simulation, a comparative analysis of flow chemically reacting gas through catalyst is performed using example selective hydrogenation acetylene in wide range temperatures variation. Catalyst models are open-cell foam material. A comparison also made with calculations and experimental data for granular catalyst. The porosity cell diameter were chosen as v...

15 August 2008 Abstract The intermetallic compounds PdGa and Pd3Ga7 are introduced as selective catalysts for the hydrogenation of acetylene. Single phase PdGa and Pd3Ga7 can readily be prepared by the appropriate thermal treatment of the stoichiometric mixtures of the corresponding elements. The initial low surface areas of the as-prepared materials can be increased by careful mechanical treat...

The two structural modifications of Cu60Pd40 were synthesized as bulk powders and tested as unsupported model catalysts in the semi-hydrogenation of acetylene. The partly ordered low-temperature modification (CsCl type of structure) showed an outstanding ethylene selectivity of >90% over 20 h on stream while the disordered high-temperature modification (Cu type of structure) was 20% less select...

A new concept to circumvent some of the problems that are hindering a rational metallic catalyst development is introduced. Investigation of conventional metal catalysts – which consist of supported metals, metal mixtures or alloys – is handicapped by the presence of a variety of active sites, their possible agglomeration, metal-support interactions as well as segregation of the components. In ...

A computational and conceptual density functional theory (DFT) study on the mechanism of molecular hydrogen activation by a set of three frustrated Lewis pairs (FLPs) was performed at the ωB97X-D/6-311G(d,p) level of theory. A reduced model and other two prototypes derived from experimental data, based on the donor nitrogen and acceptor boron atoms, were used. Analysis based on the energy resul...