Show/Hide Menu
Hide/Show Apps
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Open Access Guideline
Open Access Guideline
Postgraduate Thesis Guideline
Postgraduate Thesis Guideline
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Guides
Guides
Thesis submission
Thesis submission
MS without thesis term project submission
MS without thesis term project submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Supporting Information
Supporting Information
General Information
General Information
Copyright, Embargo and License
Copyright, Embargo and License
Contact us
Contact us
Ethylene Epoxidation Catalyzed by Silver Oxide
Date
2011-01-01
Author
Ozbek, M. Olus
Önal, Işık
van Santen, Rutger A.
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
178
views
0
downloads
Cite This
There are two different reaction paths towards formation of ethylene oxide (EO); in addition to that via an oxometallacycle (OMC) intermediate, silver oxide‐catalyzed epoxidation of ethylene with surface oxygen, which can occur on an oxide phase as long as no oxygen vacancies are present, is possible. This path is established computationally, by using density functional theory.
Subject Keywords
Density functional calculations
,
Epoxidation
,
Ethylene oxide
,
Reaction mechanisms
,
Silver
URI
https://hdl.handle.net/11511/30000
Journal
CHEMCATCHEM
DOI
https://doi.org/10.1002/cctc.201000249
Collections
Graduate School of Natural and Applied Sciences, Article
Suggestions
OpenMETU
Core
Ethylene epoxidation catalyzed by chlorine-promoted silver oxide
Ozbek, M. O.; Önal, Işık; Van Santen, R. A. (2011-10-12)
It is demonstrated that, on a silver oxide surface, direct formation of ethylene oxide (EO) through the reaction between gas phase ethylene and surface oxygen is possible. The direct reaction channel produces EO selectively without competing with acetaldehyde (AA) formation. The oxometallacycle (OMC) forms on an oxygen vacant surface and reduces EO selectivity. Cl adsorption removes these surface vacant sites and hence prevents the formation of the OMC intermediate.
Partial oxidation of methane on the SiO2 surface - A quantum chemical study
Ozturk, S; Onal, I; Senkan, S (2000-02-01)
Reaction pathways for methane partial oxidation (MPO) on silica were theoretically investigated using the semiempirical MOPAC-PM3 molecular orbital method. The surface of SiO2 was modeled by a helical Si6O18H12 molecular cluster that also exhibits a strained siloxane bridge defect. First, a bond energy analysis was performed on the silica cluster with isolated 3- and 4-coordinated Si surface atoms. Calculated bond dissociation energies for Si-H, SiO-H, and SI-OH were comparable to H-CH3, H-OH, and O-O. In t...
Ethyl (E)-2-furyl-2-(hydroxyimino)acetate
Ulku, D; Tahir, MN; Demir, Ayhan Sıtkı; Aksoy-Cam, H (1998-01-15)
In the title compound, C8H9NO4, the hydrogen bonds between the oxime O atoms and the N and O atoms of the neighbouring asymmetric unit result in the dimerization of the molecules, with D...A distances of 2.774 (3) and 3.144 (3) Angstrom for O-H ... N and O-H ... O, respectively. The hydrogen-bridged centrosymmetric dimers are cross-linked via additional weaker intermolecular hydrogen bonds between the CH3 group and the other O atom of the dimer, forming a polymeric network. The D...A distance of this second...
Epoxidation of Propylene on a [Ag14O9] Cluster Representing Ag2O (001) Surface: A Density Functional Theory Study
Fellah, Mehmet Ferdi; Önal, Işık (2012-01-01)
Density functional theory calculations were employed to study partial oxidation of propylene on a [Ag14O9] cluster representing Ag2O (001) surface for which positive effect for ethylene oxide formation has been reported in our earlier work at the same level of theory (Fellah et al., Catal Lett 141: 762, 2011). Propylene oxide (PO), propanal, acetone and G-allyl radical formation reaction mechanisms were investigated. P-allyl formation path and two propylene adsorption paths resulting in PO formation are com...
Ethylene and acetaldehyde production by selective oxidation of ethanol using mesoporous V-MCM-41 catalysts
Gucbilmez, Yesim; Doğu, Timur; Balci, Suna (2006-05-10)
Vanadium-incorporated MCM-41 type catalytic materials, which were synthesized by a direct hydrothermal synthesis procedure, showed very high activity and high selectivity in the production of ethylene from ethanol in an oxidative process. Ethylene selectivity showed a significant increase with an increase in temperature over 300 degrees C, while relatively high acetaldehyde selectivities were observed at lower temperatures. An ethylene yield value of 0.66 obtained at 400 degrees C with an O-2/ethanol feed r...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
M. O. Ozbek, I. Önal, and R. A. van Santen, “Ethylene Epoxidation Catalyzed by Silver Oxide,”
CHEMCATCHEM
, pp. 150–153, 2011, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/30000.