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Готові списки джерел за темами / Ethylene epoxidation

Добірка наукової літератури з теми "Ethylene epoxidation"

Автор: Grafiati

Опубліковано: 8 червня 2024

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Статті в журналах з теми "Ethylene epoxidation":

1

de Roo, C. Maurits, Johann B. Kasper, Martin van Duin, Francesco Mecozzi, and Wesley Browne. "Off-line analysis in the manganese catalysed epoxidation of ethylene-propylene-diene rubber (EPDM) with hydrogen peroxide." RSC Advances 11, no. 51 (2021): 32505–12. http://dx.doi.org/10.1039/d1ra06222k.

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Epoxidation of ethylene-propylene-diene rubber (EPDM), based on 5-ethylidene-2-norbornene, to epoxidized EPDM (eEPDM) opens routes to cross-linking and reactive blending, with increased polarity aiding adhesion to polar materials such as silica.

2

Jenkins, Cody, Jiashen Tian, and Ryan J. Milcarek. "Short Term Silver Electrode Microstructure Changes Under Epoxidation Conditions for Solid Oxide Electrolysis Cells." ECS Meeting Abstracts MA2023-01, no. 54 (August 28, 2023): 185. http://dx.doi.org/10.1149/ma2023-0154185mtgabs.

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Ethylene epoxidation is an important reaction to form ethylene oxide (EO), which is a precursor to many other critical chemicals. This study links short-term EO production to the effects on the microstructure of Ag/yttria-stabilized zirconia cells with and without an electrochemically promoted catalyst (EPOC). Nano scale features called striations were observed using a Scanning Electron Microscope on the silver under all reaction conditions tested. While appearing in both cases, the striations for the EPOC case are finer in size (~200 nm) compared to the no current case (~400 nm). These features did not appear when epoxidation conditions were not present. Striation formation was further linked to the epoxidation reaction through electrochemical impedance spectroscopy (EIS) and gas chromatography. Ethylene conversion to EO declines over the course of hours as striations form, indicating that striations have a negative influence on the reaction. Striation formation further effected the electrochemical performance of the cells, resulting in the low frequency depressions on EIS to shrink in both cases after 10 hours of epoxidation.

3

Jenkins, Cody, Jiashen Tian, and Ryan J. Milcarek. "Short Term Silver Electrode Microstructure Changes Under Epoxidation Conditions for Solid Oxide Electrolysis Cells." ECS Transactions 111, no. 6 (May 19, 2023): 1209–21. http://dx.doi.org/10.1149/11106.1209ecst.

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Ethylene epoxidation is an important reaction to form ethylene oxide (EO), which is a precursor to many other critical chemicals. This study links short-term EO production to the effects on the microstructure of Ag/yttria-stabilized zirconia cells with and without an electrochemically promoted catalyst (EPOC). Nano scale features called striations were observed using a Scanning Electron Microscope (SEM) on the silver under all reaction conditions tested. While appearing in both cases, the striations for the EPOC case are finer in size (~150 to 250 nm) compared to the no current case (~400 to 500 nm). These features did not appear when epoxidation conditions were not present. Striation formation was further linked to the epoxidation reaction through electrochemical impedance spectroscopy (EIS) and gas chromatography (GC). Ethylene conversion to EO declines over the course of hours as striations form, indicating that striations have a negative influence on the reaction. Striation formation further effected the electrochemical performance of the cells, resulting in the low frequency depressions observed in EIS to shrink in both cases after 10 hours of epoxidation.

4

VANSANTEN, R. "The mechanism of ethylene epoxidation." Journal of Catalysis 98, no. 2 (April 1986): 530–39. http://dx.doi.org/10.1016/0021-9517(86)90341-6.

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5

Maqbool, Muhammad, Toheed Akhter, Muhammad Faheem, Sohail Nadeem, and Chan Ho Park. "Correction: CO₂ free production of ethylene oxide via liquid phase epoxidation of ethylene using niobium oxide incorporated mesoporous silica material as the catalyst." RSC Advances 13, no. 8 (2023): 5172. http://dx.doi.org/10.1039/d3ra90009f.

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Correction for ‘CO2 free production of ethylene oxide via liquid phase epoxidation of ethylene using niobium oxide incorporated mesoporous silica material as the catalyst’ by Muhammad Maqbool et al., RSC Adv., 2023, 13, 1779–1786, https://doi.org/10.1039/D2RA07240H

6

Liu, Xin, Yang Yang, Minmin Chu, Ting Duan, Changgong Meng, and Yu Han. "Defect stabilized gold atoms on graphene as potential catalysts for ethylene epoxidation: a first-principles investigation." Catalysis Science & Technology 6, no. 6 (2016): 1632–41. http://dx.doi.org/10.1039/c5cy01619c.

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7

Gilbert, B., T. Cavoue, M. Aouine, L. Burel, F. J. Cadete Santos Aires, A. Caravaca, M. Rieu, et al. "Ag-based electrocatalysts for ethylene epoxidation." Electrochimica Acta 394 (October 2021): 139018. http://dx.doi.org/10.1016/j.electacta.2021.139018.

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8

Özbek, M. O., and R. A. van Santen. "The Mechanism of Ethylene Epoxidation Catalysis." Catalysis Letters 143, no. 2 (January 12, 2013): 131–41. http://dx.doi.org/10.1007/s10562-012-0957-3.

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9

Özbek, M. Olus, Isik Önal, and Rutger A. van Santen. "Ethylene Epoxidation Catalyzed by Silver Oxide." ChemCatChem 3, no. 1 (October 7, 2010): 150–53. http://dx.doi.org/10.1002/cctc.201000249.

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10

Chen, Hsin-Tsung, and Chen-Wei Chan. "Promoting ethylene epoxidation on gold nanoclusters: self and CO induced O2 activation." Physical Chemistry Chemical Physics 17, no. 34 (2015): 22336–41. http://dx.doi.org/10.1039/c5cp02809d.

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Дисертації з теми "Ethylene epoxidation":

1

Ozbek, Murat Olus. "Computational Study Of Ethylene Epoxidation." Phd thesis, METU, 2011. http://etd.lib.metu.edu.tr/upload/12613856/index.pdf.

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This work computationally investigates the partial oxidation of ethylene (i.e. ethylene epoxidation) using periodic Density Functional Theory (DFT) on slab models that represent the catalyst surfaces. The mechanical aspects of the reaction were investigated on silver surfaces, which are industrially applied catalysts, for a wide range of surface models varying from metallic surfaces with low oxygen coverage to oxide surfaces. For comparison, the metallic and oxide phases of copper and gold were also studied. On these surfaces, the reaction paths and the transition states along these paths for the selective and non-selective reaction channels were obtained using the climbing image nudged elastic band (CI-NEB) method. In order to answer the question &ldquo
what is the relation between the surface state and the ethylene oxide selectivity?&rdquo
metallic (100), (110) and (111) surfaces of Cu, Ag and Au
and, (001) surfaces of Cu2O, Ag2O and Au2O oxides were studied and compared. For the studied metallic surfaces, it was found that the selective and non-selective reaction channels proceed through the oxametallacycle (OMC) intermediate, and the product selectivity depends on the relative barriers of the these channels, in agreement with the previous reports. However for the studied metallic surfaces and oxygen coverages, a surface state that favors the ethylene oxide (EO) formation was not identified. The studied Au surfaces did not favor the oxygen adsorption and dissociation, and the Cu surfaces favored the non-selective product (acetaldehyde, AA) formation. Nevertheless, the results of Ag surfaces are in agreement with the ~50% EO selectivity of the un-promoted silver catalyst. The catalyst surface in the oxide state was modeled by the (001) surfaces of the well defined Cu2O, Ag2O and Au2O oxide phases. Among these three oxides, the Cu2O is found not to favor EO formation whereas Au2O is known to be unstable, however selective for epoxidation. The major finding of this work is the identification of a direct epoxidation path that is enabled by the reaction of the surface oxygen atoms, which are in two-fold (i.e. bridge) positions and naturally exist on (001) oxide surfaces of the studied metals. Among the three oxides studied, only Ag2O(001) surface does not show a barrier for the formation of adsorbed epoxide along the direct epoxidation path. Moreover, the overall heat of reaction that is around 105 kJ/mol agrees well with the previous reports. The single step, direct epoxidation path is a key step in explaining the high EO selectivities observed. Also for the oxide surfaces, the un-selective reaction that ends up in combustion products is found to proceed through the OMC mechanism where aldehyde formation is favored. Another major finding of this study is that, for the studied oxide surfaces two different types of OMC intermediates are possible. The first possibility is the formation of the OMC intermediate on oxygen vacant sites, where the ethylene can interact with the surface metal atoms directly. The second possibility is the formation of a direct OMC intermediate, through the interaction of the gas phase ethylene with the non-vacant oxide surface. This occurs through the local surface reconstruction induced by the ethylene. The effect of Cl promotion was also studied. Coadsorption of Cl is found to suppress the oxygen vacant sites and also the reconstruction effects that are induced by ethylene adsorption. Thus, by preventing the interaction of the ethylene directly with the surface metal atoms, Cl prevents the OMC formation, therefore the non-selective channel. At the same time Cl increases the electrophilicity of reacting surface oxygen. The direct epoxidation path appears to be stabilized by coadsorbed oxygen atoms. Thus, we carry the discussions on the silver catalyzed ethylene epoxidation one step further. Herein we present that the EO selectivity will be limited in the case of metallic catalyst, whereas, the oxide surfaces enable a direct mechanism where EO is produced selectively. The role of the Cl promoter is found to be mainly steric where it blocks the sites of non-selective channel.

2

Law, D. "Aspects of ethylene epoxidation catalysis." Thesis, University of Liverpool, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.333563.

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3

Tan, S. A. "The mechanism of ethylene epoxidation." Thesis, University of Cambridge, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.383935.

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4

Gaudet, Jason. "Gas-Phase Epoxidation of Ethylene and Propylene." Diss., Virginia Tech, 2010. http://hdl.handle.net/10919/29341.

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Catalysts consisting of silver on Î±-Al2O3, Î±-SiC, and Î²-SiC supports were synthesized and tested for catalytic performance in the gas-phase direct oxidation of ethylene to ethylene oxide. For this study, which used no promoters, ethylene oxidation selectivity of SiC-supported catalysts ranged from 10 to 60% and conversion from 0-4.5%. Silicon carbide supported catalysts exhibited poor performance except for a surface-modified Î²-SiC-supported catalyst, which demonstrated conversion and selectivity similar to that of an Î±-Al2O3-supported catalyst. This Ag/Î²-SiC catalyst was further investigated with a kinetic study, and the reaction orders were found to be 0.18 with respect to ethylene and 0.34 with respect to oxygen. The kinetic results were consistent with Langmuir-Hinshelwood rate expressions developed from single-site and dual-site reaction mechanisms. Gold nanoparticles on titanium oxide and titania-silica supports are active for the formation of propylene oxide by the oxidation of propylene with hydrogen and oxygen mixtures. This study investigates the effect of cyanide treatment on gold supported on titanosilicate zeolite supports (Au/TS-1). Catalysts treated with weak solutions of sodium cyanide resulted in preferential removal of small gold particles, while catalysts treated with strong solutions resulted in dissolution of the gold and re-precipitation as gold (+1) cyanide. X-ray absorption spectroscopy demonstrated that catalysts which produce propylene oxide in the presence of hydrogen and oxygen mixtures had supported gold (+3) oxide nanoparticles of 3 nm size after synthesis, which were reduced to gold metal at reaction conditions. Samples treated with strong solutions of sodium cyanide resulted in supported gold (+1) cyanide particles of large size, 9-11 nm. These particles did not produce propylene oxide but, surprisingly, showed high selectivity toward propylene hydrogenation. Increasing gold (+1) cyanide particle size resulted in a decrease in hydrogenation activity. TS-1 and Au/TS-1 surfaces were studied with laser Raman spectroscopy. Surface fluorescence was substantially reduced with a low-temperature ozone treatment, allowing observation of titanosilicate framework bands. Hydrocarbon vibrations are observed for TS-1 and Au/TS-1 under propylene. Density functional theory models indicated that propylene adsorbed to a metal site along the Ï bond would show a Raman spectrum very similar to gas-phase propylene except for out-of-plane C-H vibrations, which would be moved to higher energy. This adsorption spectrum, with out-of-plane vibrations shifted to higher energy, was observed for both TS-1 and Au/TS-1. Langmuir adsorption isotherms were generated for both TS-1 and Au/TS-1, and a scaling factor derived from propylene uptake experiments allowed these isotherms to be scaled to propylene coverage of titanium.
Ph. D.

5

Hague, Mathew. "A microreactor study on the epoxidation of ethylene over silver catalysts." Thesis, University of Manchester, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.516163.

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6

Anantharaman, Bharthwaj. "Reaction mechanisms for catalytic partial oxidation systems : application to ethylene epoxidation." Thesis, Massachusetts Institute of Technology, 2005. http://hdl.handle.net/1721.1/32328.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 2005.
Includes bibliographical references.
With the rapid advances in kinetic modeling, building elementary surface mechanisms have become vital to understand the complex chemistry for catalytic partial oxidation systems. Given that there is selected experimental knowledge on surface species and a large number of unknown thermochemical, rate parameters, the challenge is to integrate the knowledge to identify all the important species and accurately estimate the parameters to build a detailed surface mechanism. This thesis presents computational methodology for quickly calculating thermodynamically consistent temperature/coverage-dependent heats of formation, heat capacities and entropies, correction approach for improving accuracy in heats of formation predicted by composite G3- based quantum chemistry methods, and detailed surface mechanism for explaining selectivity in ethylene epoxidation. Basis of the computational methodology is the Unity Bond Index- Quadratic Exponential Potential (UBI-QEP) approach, which applies quadratic exponential potential to model interaction energies between atoms and additive pairwise energies to compute total energy of an adsorbed molecule. By minimizing the total energy subject to bond order constraint, formulas for chemisorption enthalpies have been derived for surface species bound to on-top, hollow and bridge coordination sites with symmetric, asymmetric and chelating coordination structures on transition metal catalysts. The UBI-QEP theory for diatomics has been extended for polyatomic adsorbates with empirical modifications to the theory.
(cont.) Formulas for activation energies have been derived for generic reaction types, including simple adsorption, dissociation-recombination, and disproportionation reactions. Basis of the correction approach is the Bond Additivity Correction (BAC) procedures, which apply atomic, molecular and bond- wise modifications to enthalpies of molecules predicted by G3B3 and G3MP2B3 composite quantum chemistry methods available in Gaussian® suite of programs. The new procedures have improved the accuracy of thermochemical properties for open and closed shell molecules containing various chemical moieties, multireference configurations, isomers and degrees of saturation involving elements from first 3 rows of the periodic table. The detailed mechanism explains the selectivity to ethylene oxide based on the parallel branching reactions of surface oxametallacycle to epoxide and acetaldehyde. Using Decomposition Tree Approach, surface reactions and species have been generated to develop a comprehensive mechanism for epoxidation. As a result of these developments in the thesis, chemisorption enthalpies can now be estimated within 3 kcal/mol of experimental values for transition metal catalysts and enthalpies predicted by G3B3 and G3MP2B3 Gaussian methods can be corrected within 0.5 kcal/mol. Examples of heterogeneous reaction systems involving silver-catalyzed ethylene epoxidation demonstrate the effectiveness of the methodologies developed in this work.
by Bharthwaj Anantharaman.
Ph.D.

7

Fellah, Mehmet Ferdi. "A Density Functional Theory Study Of Catalytic Epoxidation Of Ethylene And Propylene." Phd thesis, METU, 2009. http://etd.lib.metu.edu.tr/upload/3/12611228/index.pdf.

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The reactions which give the products ethylene oxide, vinyl alcohol, vinyl aldehyde and vinyl radical for ethylene oxidation and the reactions which give propylene oxide, propanal, acetone and pi-allyl radical for propylene oxidation were investigated by using Density Functional Theory (DFT) method with B3LYP/LanL2DZ and 6-31g(d,p) basis sets in Gaussian&rsquo
03 software. Silver and silver oxide were used as catalyst surface cluster models. Surface comparison was made for silver (111), (110) and (100) surfaces. Ethylene oxidation reaction was studied on these silver surfaces. Oxygen effect on ethylene oxide formation reaction was also investigated on silver (111) surface. Ethylene and propylene oxidation reactions were completed on both Ag13(111) and Ag14O9(001) surface clusters. VASP software which utilizes periodic plane wave basis sets was also used to compare trends of reactions for ethylene and propylene oxidations obtained by using Gaussian&rsquo
03 software. According to results, silver (110) surface is more active for ethylene oxide formation than (111) and (100) surfaces. Hill site of (110) surface is much more active than hollow site of (110) surface since oxygen atom weakly adsorbed on hill site. Ethyl aldehyde and vinyl alcohol can not be formed on Ag(111) surface because of those higher activation barriers while ethylene oxide can be formed on cluster. Activation barrier for ethylene oxide formation decreases with increasing oxygen coverage on Ag(111) surface. Ethylene oxametallocycle intermediate molecule was not formed on Ag2O(001) surface while it is formed on surface oxide structure on Ag(111). Ethyl aldehyde and vinyl alcohol are not formed on silver oxide (001) surface. For propylene oxidation, &
#928
-allyl formation path has the lowest activation barrier explaining why silver is not a good catalyst for the propylene oxide formation while it is a good catalyst for the ethylene oxide formation. This situation is valid for silver oxide. Propylene oxide selectivity increased in the gas phase oxidation. The qualitative relative energy trend obtained by VASP software is the similar with that of calculations obtained by using GAUSSIAN&rsquo
03 software.

8

Sullivan, Mark. "Alkali nitroxy-anions in the ultra-selective catalytic process for ethylene epoxidation." Thesis, University of Cambridge, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.303276.

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9

Dellamorte, Joseph C. "Investigation of silver based catalysts for ethylene epoxidation high throughput studies and characterization /." Access to citation, abstract and download form provided by ProQuest Information and Learning Company; downloadable PDF file, 288 p, 2009. http://proquest.umi.com/pqdweb?did=1821286341&sid=9&Fmt=2&clientId=8331&RQT=309&VName=PQD.

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10

Gava, Paola. "Modeling the catalyst selectivity in the ethylene epoxidation reaction : a first principles study." Doctoral thesis, SISSA, 2007. http://hdl.handle.net/20.500.11767/3933.

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Частини книг з теми "Ethylene epoxidation":

1

Campbell, Charles T. "Selective Epoxidation of Ethylene Catalyzed by Silver." In Catalyst Characterization Science, 210–21. Washington, DC: American Chemical Society, 1985. http://dx.doi.org/10.1021/bk-1985-0288.ch019.

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2

Gavriilidis, Asterios, and Arvind Varma. "Optimal Distribution of Silver Catalyst for Epoxidation of Ethylene." In ACS Symposium Series, 410–15. Washington, DC: American Chemical Society, 1993. http://dx.doi.org/10.1021/bk-1993-0523.ch031.

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3

Jones, Travis. "Progress Report on: Sulfur in Ethylene Epoxidation on Silver (SEES2)." In High Performance Computing in Science and Engineering ' 18, 167–81. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-13325-2_11.

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4

Rigas, N. C., G. D. Svoboda, and J. T. Gleaves. "Activation of Silver Powder for Ethylene Epoxidation at Vacuum and Atmospheric Pressures." In ACS Symposium Series, 183–203. Washington, DC: American Chemical Society, 1993. http://dx.doi.org/10.1021/bk-1993-0523.ch014.

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5

Van Santen, R. A., and H. P. C. E. Kuipers. "The Mechanism of Ethylene Epoxidation." In Advances in Catalysis, 265–321. Elsevier, 1987. http://dx.doi.org/10.1016/s0360-0564(08)60095-4.

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6

Toreis, N., and X. E. Verykios. "Ethylene Epoxidation on Silver-Based Alloy Catalysts." In New Developments in Selective Oxidation, 725–32. Elsevier, 1990. http://dx.doi.org/10.1016/s0167-2991(08)60206-2.

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7

Mhadeshwar, A. B., and M. A. Barteau. "Computational Strategies for Identification of Bimetallic Ethylene Epoxidation Catalysts." In Mechanisms in Homogeneous and Heterogeneous Epoxidation Catalysis, 265–81. Elsevier, 2008. http://dx.doi.org/10.1016/b978-0-444-53188-9.00008-0.

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8

Chavadej, Sumaeth, Siriphong Rojluechai, Johannes W. Schwank, and Vissanu Meeyoo. "Effect of Support on Ethylene Epoxidation on Ag, Au, and Au-Ag Catalysts." In Mechanisms in Homogeneous and Heterogeneous Epoxidation Catalysis, 283–96. Elsevier, 2008. http://dx.doi.org/10.1016/b978-0-444-53188-9.00009-2.

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9

Waugh, Kenneth C., and M. Hague. "Investigation of the Origins of Selectivity in Ethylene Epoxidation on Promoted and Unpromoted Ag/α-Al2O3 Catalysts." In Mechanisms in Homogeneous and Heterogeneous Epoxidation Catalysis, 233–63. Elsevier, 2008. http://dx.doi.org/10.1016/b978-0-444-53188-9.00007-9.

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10

Lazarescu, V., M. Stanciu, and M. Vass. "Doping effects in ethylene epoxidation over potassium promoted silver catalysts." In New Developments in Selective Oxidation II, Proceedings of the Second World Congress and Fourth European Workshop Meeting, 495–98. Elsevier, 1994. http://dx.doi.org/10.1016/s0167-2991(08)63442-4.

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Тези доповідей конференцій з теми "Ethylene epoxidation":

1

Chongterdtoonskul, Atiporn, Johannes W. Schwank, and Sumaeth Chavadej. "Effect of Support on Ethylene Epoxidation over Ag-based Catalysts." In 14th Asia Pacific Confederation of Chemical Engineering Congress. Singapore: Research Publishing Services, 2012. http://dx.doi.org/10.3850/978-981-07-1445-1_022.

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2

Zhang, Xueqiang, and Prashant Jain. "IN-SITU GENERATED GRAPHENE AS THE CATALYTIC SITE FOR VISIBLE-LIGHT MEDIATED ETHYLENE EPOXIDATION ON AG NANOCATALYSTS." In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.te11.

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Звіти організацій з теми "Ethylene epoxidation":

1

Shao, Dahai. Surface-supported Ag islands stabilized by a quantum size effect: Their interaction with small molecules relevant to ethylene epoxidation. Office of Scientific and Technical Information (OSTI), May 2013. http://dx.doi.org/10.2172/1116719.

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