Adsorption and transformations of ethene on hydrogenated rhodium clusters in faujasite-type zeolite. A computational study

2016 ◽  
Vol 6 (6) ◽  
pp. 1726-1736 ◽  
Author(s):  
Velina K. Markova ◽  
Georgi N. Vayssilov ◽  
Alexander Genest ◽  
Notker Rösch
Keyword(s):  
Phase Diagrams ◽  
Catalytic Hydrogenation ◽  
Computational Study ◽  
Zeolite A ◽  
Dft Modeling ◽  
Rhodium Clusters ◽  
Type Zeolite

Phase diagrams from DFT modeling suggest that zeolite-supported Rh4 clusters may be appropriate for the catalytic hydrogenation of ethene to ethane, whereas Rh3 clusters favor the formation of the stable adsorbed ethylidyne species, preventing further hydrogenation.

Löwenstein's rule in zeolite A: A computational study

Zeolites ◽  
1992 ◽  
Vol 12 (7) ◽  
pp. 870-871 ◽  
Author(s):  
R.G. Bell ◽  
R.A. Jackson ◽  
C.R.A. Catlow
Keyword(s):  
Computational Study ◽  
Zeolite A

scholarly journals EU-7 zeolite: a synthetic BIK type zeolite with high hydrothermal stability

2018 ◽  
Vol 54 (44) ◽  
pp. 5626-5629
Author(s):  
Michiel De Prins ◽  
Elke Verheyen ◽  
Stef Kerkhofs ◽  
Andreas Hoffmann ◽  
Gina Vanbutsele ◽  
...  
Keyword(s):  
Hydrothermal Stability ◽  
Zeolite A ◽  
Type Zeolite ◽  
Denox Catalysis

EU-7 is identified as BIK topology and proves stable to withstand steaming at 900 °C relevant to DeNOx catalysis.

Shape-Selective Methylation of 2-Methylnaphthalene with Methanol over H-ZSM-5 Zeolite: A Computational Study

2012 ◽  
Vol 116 (6) ◽  
pp. 4071-4082 ◽  
Author(s):  
Xiaowa Nie ◽  
Michael J. Janik ◽  
Xinwen Guo ◽  
Chunshan Song
Keyword(s):  
Computational Study ◽  
Zeolite A ◽  
Shape Selective

scholarly journals Distribution of Sodium Cations in Faujasite-Type Zeolite:  A Canonical Parallel Tempering Simulation Study

2004 ◽  
Vol 108 (1) ◽  
pp. 399-404 ◽  
Author(s):  
Christèle Beauvais ◽  
Xavier Guerrault ◽  
François-Xavier Coudert ◽  
Anne Boutin ◽  
Alain H. Fuchs
Keyword(s):  
Simulation Study ◽  
Parallel Tempering ◽  
Zeolite A ◽  
Sodium Cations ◽  
Type Zeolite

Photoluminescence of the Dehydrated Ag-type Zeolite A Packed under Air

2008 ◽  
Vol 77 (6) ◽  
pp. 064712 ◽  
Author(s):  
Hideoki Hoshino ◽  
Yusuke Sannohe ◽  
Yushi Suzuki ◽  
Takashi Azuhata ◽  
Takafumi Miyanaga ◽  
...  
Keyword(s):  
Zeolite A ◽  
Type Zeolite

Single, Binary and Ternary Ion Exchanged Zeolite as an Effective Bioactive Filler for Biomedical Polymer Composites

2012 ◽  
Vol 729 ◽  
pp. 234-239 ◽  
Author(s):  
Péter Kaali ◽  
György Czél
Keyword(s):  
Inhibitory Concentration ◽  
Zinc Nitrate ◽  
Ion Concentration ◽  
Zeolite A ◽  
Ion Release ◽  
Antimicrobial Efficiency ◽  
Type Zeolite ◽  
Zn Ions ◽  
Nitrate Solutions

The preparation and modelling of single, binary and ternary ion exchanged zeolites that express antimicrobial efficiency is discussed. As experimental material A type zeolite was used and different variations of Ag, Cu and Zn ions were incorporated into the crystal structure. Antimicrobial efficiency is based on the ion concentration and ion release of the zeolite, therefore the maximum cation-exchange capacities (CEC) were determined for each of the single ions. After the determination of CEC the preparation of binary and ternary ion-exchanged zeolite samples were prepared by the mixture of silver, copper and zinc nitrate solutions and the composition of the samples was determined by atomic absorption spectroscopy (AAS). To verify the bioactive effect, the minimum inhibitory concentration (MIC) of single, binary and ternary ion-exchanged zeolite A was determined for bacteria strains.

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