Macroscopic and population balances for the simulation of surface reactions
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Redalyc
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| Natura: | Artículo científico |
| Lingua: | en |
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Universidad Nacional de Colombia
2022
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| _version_ | 1876485320515518464 |
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| author | Carolina Cruz |
| author_facet | Carolina Cruz |
| contents | Macroscopic and population balances for the simulation of surface reactions Carolina Cruz Daniel Barragán Ingeniería kinetic cycle surface catalyst Transport phenomena population balances Modeling and computational simulation of the carbon monoxide oxidation process, taken as a key system to analyze the importance of the dynamic description of active sites into the process yield, are presented in this work. To this aim, the formalism of transport phenomena and population balances are used to implement a realistic model that involves heat exchange, transfer of mass and momentum, chemical reaction, and catalyst deactivation. The model is solved numerically, and the analysis is made by comparing isothermal pseudo-steady state approximation with non-isothermal non-steady state assumption for the catalytic cycle. The results show the advantage of considering the interface explicitly into the model since temporary changes of the reactive complex as well as the active sites of the catalyst have a great influence over the reaction yield. By considering this fact, the reaction description is made in a more proper way. 2022 artículo científico 0012-7353 https://www.redalyc.org/articulo.oa?id=49677393008 https://www.redalyc.org/journal/496/49677393008/ https://www.redalyc.org/journal/496/49677393008/html/ https://www.redalyc.org/journal/496/49677393008/49677393008.epub https://www.redalyc.org/journal/496/49677393008/movil 10.15446/dyna.v89n224.101583 en http://www.redalyc.org/revista.oa?id=496 Dyna application/pdf Universidad Nacional de Colombia Dyna (Colombia) Num.224 Vol.89 |
| format | Artículo científico |
| id | redalyc_49677393008 |
| institution | Redalyc |
| language | en |
| publishDate | 2022 |
| publisher | Universidad Nacional de Colombia |
| spellingShingle | Macroscopic and population balances for the simulation of surface reactions Carolina Cruz Ingeniería kinetic cycle surface catalyst Transport phenomena population balances Macroscopic and population balances for the simulation of surface reactions Carolina Cruz Daniel Barragán Ingeniería kinetic cycle surface catalyst Transport phenomena population balances Modeling and computational simulation of the carbon monoxide oxidation process, taken as a key system to analyze the importance of the dynamic description of active sites into the process yield, are presented in this work. To this aim, the formalism of transport phenomena and population balances are used to implement a realistic model that involves heat exchange, transfer of mass and momentum, chemical reaction, and catalyst deactivation. The model is solved numerically, and the analysis is made by comparing isothermal pseudo-steady state approximation with non-isothermal non-steady state assumption for the catalytic cycle. The results show the advantage of considering the interface explicitly into the model since temporary changes of the reactive complex as well as the active sites of the catalyst have a great influence over the reaction yield. By considering this fact, the reaction description is made in a more proper way. 2022 artículo científico 0012-7353 https://www.redalyc.org/articulo.oa?id=49677393008 https://www.redalyc.org/journal/496/49677393008/ https://www.redalyc.org/journal/496/49677393008/html/ https://www.redalyc.org/journal/496/49677393008/49677393008.epub https://www.redalyc.org/journal/496/49677393008/movil 10.15446/dyna.v89n224.101583 en http://www.redalyc.org/revista.oa?id=496 Dyna application/pdf Universidad Nacional de Colombia Dyna (Colombia) Num.224 Vol.89 |
| title | Macroscopic and population balances for the simulation of surface reactions |
| topic | Ingeniería kinetic cycle surface catalyst Transport phenomena population balances |
| url | https://www.redalyc.org/articulo.oa?id=49677393008 https://www.redalyc.org/journal/496/49677393008/ https://www.redalyc.org/journal/496/49677393008/html/ https://www.redalyc.org/journal/496/49677393008/49677393008.epub https://www.redalyc.org/journal/496/49677393008/movil |