Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $ with Oxygen Supplied as the Gas and from the Catalyst’s Bulk
Abstract A kinetic Monte Carlo simulation algorithm and a theoretical mean field study of two sites is developed to interpret a redox mechanism based on that proposed by Sedmak et al. for the oxidation of CO over the nanostructured catalyst $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $. The simulations reprod...
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Gespeichert in:
| Autor*in: |
Cortés, Joaquín [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2012 |
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| Schlagwörter: |
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| Systematik: |
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| Anmerkung: |
© Springer Science+Business Media New York 2012 |
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| Übergeordnetes Werk: |
Enthalten in: Catalysis letters - Springer US, 1988, 143(2012), 2 vom: 14. Dez., Seite 176-183 |
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| Übergeordnetes Werk: |
volume:143 ; year:2012 ; number:2 ; day:14 ; month:12 ; pages:176-183 |
| Links: |
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| DOI / URN: |
10.1007/s10562-012-0946-6 |
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OLC2040181660 |
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| 245 | 1 | 0 | |a Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $ with Oxygen Supplied as the Gas and from the Catalyst’s Bulk |
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| 520 | |a Abstract A kinetic Monte Carlo simulation algorithm and a theoretical mean field study of two sites is developed to interpret a redox mechanism based on that proposed by Sedmak et al. for the oxidation of CO over the nanostructured catalyst $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $. The simulations reproduce adequately the published experimental results and the theoretical study allows the observation of some microscopic behaviour shown by this system. Graphical Abstract Simulation of the production $$ R_{{{\text{CO}}_{ 2} }} $$ at 200 °C as a function of origin of the oxygen. (filled square) Total $$ R_{{{\text{CO}}_{ 2} }} $$, (filled circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the surface (opened circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the bulk of the catalyst. | ||
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| 650 | 4 | |a Catalysis, CO oxidation | |
| 650 | 4 | |a Processes and reactions, Monte Carlo | |
| 650 | 4 | |a Mean field theory | |
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| 700 | 1 | |a Araya, Paulo |4 aut | |
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10.1007/s10562-012-0946-6 doi (DE-627)OLC2040181660 (DE-He213)s10562-012-0946-6-p DE-627 ger DE-627 rakwb eng 540 660 VZ VA 2890 VZ rvk Cortés, Joaquín verfasserin aut Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $ with Oxygen Supplied as the Gas and from the Catalyst’s Bulk 2012 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media New York 2012 Abstract A kinetic Monte Carlo simulation algorithm and a theoretical mean field study of two sites is developed to interpret a redox mechanism based on that proposed by Sedmak et al. for the oxidation of CO over the nanostructured catalyst $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $. The simulations reproduce adequately the published experimental results and the theoretical study allows the observation of some microscopic behaviour shown by this system. Graphical Abstract Simulation of the production $$ R_{{{\text{CO}}_{ 2} }} $$ at 200 °C as a function of origin of the oxygen. (filled square) Total $$ R_{{{\text{CO}}_{ 2} }} $$, (filled circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the surface (opened circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the bulk of the catalyst. Heterogeneous catalysis Catalysis, CO oxidation Processes and reactions, Monte Carlo Mean field theory Valencia, Eliana aut Araya, Paulo aut Enthalten in Catalysis letters Springer US, 1988 143(2012), 2 vom: 14. Dez., Seite 176-183 (DE-627)130436550 (DE-600)644234-1 (DE-576)025720724 1011-372X nnns volume:143 year:2012 number:2 day:14 month:12 pages:176-183 https://doi.org/10.1007/s10562-012-0946-6 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE GBV_ILN_70 GBV_ILN_4012 VA 2890 AR 143 2012 2 14 12 176-183 |
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10.1007/s10562-012-0946-6 doi (DE-627)OLC2040181660 (DE-He213)s10562-012-0946-6-p DE-627 ger DE-627 rakwb eng 540 660 VZ VA 2890 VZ rvk Cortés, Joaquín verfasserin aut Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $ with Oxygen Supplied as the Gas and from the Catalyst’s Bulk 2012 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media New York 2012 Abstract A kinetic Monte Carlo simulation algorithm and a theoretical mean field study of two sites is developed to interpret a redox mechanism based on that proposed by Sedmak et al. for the oxidation of CO over the nanostructured catalyst $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $. The simulations reproduce adequately the published experimental results and the theoretical study allows the observation of some microscopic behaviour shown by this system. Graphical Abstract Simulation of the production $$ R_{{{\text{CO}}_{ 2} }} $$ at 200 °C as a function of origin of the oxygen. (filled square) Total $$ R_{{{\text{CO}}_{ 2} }} $$, (filled circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the surface (opened circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the bulk of the catalyst. Heterogeneous catalysis Catalysis, CO oxidation Processes and reactions, Monte Carlo Mean field theory Valencia, Eliana aut Araya, Paulo aut Enthalten in Catalysis letters Springer US, 1988 143(2012), 2 vom: 14. Dez., Seite 176-183 (DE-627)130436550 (DE-600)644234-1 (DE-576)025720724 1011-372X nnns volume:143 year:2012 number:2 day:14 month:12 pages:176-183 https://doi.org/10.1007/s10562-012-0946-6 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE GBV_ILN_70 GBV_ILN_4012 VA 2890 AR 143 2012 2 14 12 176-183 |
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10.1007/s10562-012-0946-6 doi (DE-627)OLC2040181660 (DE-He213)s10562-012-0946-6-p DE-627 ger DE-627 rakwb eng 540 660 VZ VA 2890 VZ rvk Cortés, Joaquín verfasserin aut Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $ with Oxygen Supplied as the Gas and from the Catalyst’s Bulk 2012 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media New York 2012 Abstract A kinetic Monte Carlo simulation algorithm and a theoretical mean field study of two sites is developed to interpret a redox mechanism based on that proposed by Sedmak et al. for the oxidation of CO over the nanostructured catalyst $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $. The simulations reproduce adequately the published experimental results and the theoretical study allows the observation of some microscopic behaviour shown by this system. Graphical Abstract Simulation of the production $$ R_{{{\text{CO}}_{ 2} }} $$ at 200 °C as a function of origin of the oxygen. (filled square) Total $$ R_{{{\text{CO}}_{ 2} }} $$, (filled circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the surface (opened circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the bulk of the catalyst. Heterogeneous catalysis Catalysis, CO oxidation Processes and reactions, Monte Carlo Mean field theory Valencia, Eliana aut Araya, Paulo aut Enthalten in Catalysis letters Springer US, 1988 143(2012), 2 vom: 14. Dez., Seite 176-183 (DE-627)130436550 (DE-600)644234-1 (DE-576)025720724 1011-372X nnns volume:143 year:2012 number:2 day:14 month:12 pages:176-183 https://doi.org/10.1007/s10562-012-0946-6 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE GBV_ILN_70 GBV_ILN_4012 VA 2890 AR 143 2012 2 14 12 176-183 |
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10.1007/s10562-012-0946-6 doi (DE-627)OLC2040181660 (DE-He213)s10562-012-0946-6-p DE-627 ger DE-627 rakwb eng 540 660 VZ VA 2890 VZ rvk Cortés, Joaquín verfasserin aut Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $ with Oxygen Supplied as the Gas and from the Catalyst’s Bulk 2012 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media New York 2012 Abstract A kinetic Monte Carlo simulation algorithm and a theoretical mean field study of two sites is developed to interpret a redox mechanism based on that proposed by Sedmak et al. for the oxidation of CO over the nanostructured catalyst $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $. The simulations reproduce adequately the published experimental results and the theoretical study allows the observation of some microscopic behaviour shown by this system. Graphical Abstract Simulation of the production $$ R_{{{\text{CO}}_{ 2} }} $$ at 200 °C as a function of origin of the oxygen. (filled square) Total $$ R_{{{\text{CO}}_{ 2} }} $$, (filled circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the surface (opened circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the bulk of the catalyst. Heterogeneous catalysis Catalysis, CO oxidation Processes and reactions, Monte Carlo Mean field theory Valencia, Eliana aut Araya, Paulo aut Enthalten in Catalysis letters Springer US, 1988 143(2012), 2 vom: 14. Dez., Seite 176-183 (DE-627)130436550 (DE-600)644234-1 (DE-576)025720724 1011-372X nnns volume:143 year:2012 number:2 day:14 month:12 pages:176-183 https://doi.org/10.1007/s10562-012-0946-6 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE GBV_ILN_70 GBV_ILN_4012 VA 2890 AR 143 2012 2 14 12 176-183 |
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monte carlo simulations and theoretical mean field analysis of two sites in the oxidation of co over $ cu_{0.1} $$ ce_{0.9} $$ o_{2−y} $ with oxygen supplied as the gas and from the catalyst’s bulk |
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Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $ with Oxygen Supplied as the Gas and from the Catalyst’s Bulk |
| abstract |
Abstract A kinetic Monte Carlo simulation algorithm and a theoretical mean field study of two sites is developed to interpret a redox mechanism based on that proposed by Sedmak et al. for the oxidation of CO over the nanostructured catalyst $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $. The simulations reproduce adequately the published experimental results and the theoretical study allows the observation of some microscopic behaviour shown by this system. Graphical Abstract Simulation of the production $$ R_{{{\text{CO}}_{ 2} }} $$ at 200 °C as a function of origin of the oxygen. (filled square) Total $$ R_{{{\text{CO}}_{ 2} }} $$, (filled circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the surface (opened circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the bulk of the catalyst. © Springer Science+Business Media New York 2012 |
| abstractGer |
Abstract A kinetic Monte Carlo simulation algorithm and a theoretical mean field study of two sites is developed to interpret a redox mechanism based on that proposed by Sedmak et al. for the oxidation of CO over the nanostructured catalyst $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $. The simulations reproduce adequately the published experimental results and the theoretical study allows the observation of some microscopic behaviour shown by this system. Graphical Abstract Simulation of the production $$ R_{{{\text{CO}}_{ 2} }} $$ at 200 °C as a function of origin of the oxygen. (filled square) Total $$ R_{{{\text{CO}}_{ 2} }} $$, (filled circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the surface (opened circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the bulk of the catalyst. © Springer Science+Business Media New York 2012 |
| abstract_unstemmed |
Abstract A kinetic Monte Carlo simulation algorithm and a theoretical mean field study of two sites is developed to interpret a redox mechanism based on that proposed by Sedmak et al. for the oxidation of CO over the nanostructured catalyst $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $. The simulations reproduce adequately the published experimental results and the theoretical study allows the observation of some microscopic behaviour shown by this system. Graphical Abstract Simulation of the production $$ R_{{{\text{CO}}_{ 2} }} $$ at 200 °C as a function of origin of the oxygen. (filled square) Total $$ R_{{{\text{CO}}_{ 2} }} $$, (filled circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the surface (opened circle) $$ R_{{{\text{CO}}_{ 2} }} $$ from the bulk of the catalyst. © Springer Science+Business Media New York 2012 |
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| title_short |
Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over $ Cu_{0.1} $$ Ce_{0.9} $$ O_{2−y} $ with Oxygen Supplied as the Gas and from the Catalyst’s Bulk |
| url |
https://doi.org/10.1007/s10562-012-0946-6 |
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| author2 |
Valencia, Eliana Araya, Paulo |
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Valencia, Eliana Araya, Paulo |
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| doi_str |
10.1007/s10562-012-0946-6 |
| up_date |
2024-07-04T01:29:19.593Z |
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1803610027033886720 |
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