Mathematical Modeling of Preferential CO Oxidation Reactions under Advection–Diffusion Conditions in a 3D-Printed Reactive Monolith
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Título: | Mathematical Modeling of Preferential CO Oxidation Reactions under Advection–Diffusion Conditions in a 3D-Printed Reactive Monolith |
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Autor/es: | Aguilar-Madera, Carlos G. | Ocampo-Pérez, Raúl | Bailón-García, Esther | Herrera-Hernández, E.C. | Chaparro-Garnica, Cristian Yesid | Davó-Quiñonero, Arantxa | Lozano-Castello, Dolores | Bueno López, Agustín | García-Hernández, Elías |
Grupo/s de investigación o GITE: | Materiales Carbonosos y Medio Ambiente |
Centro, Departamento o Servicio: | Universidad de Alicante. Departamento de Química Inorgánica |
Palabras clave: | Mathematical modeling | Preferential CO oxidation reactions | Advection-diffusion conditions | 3D-printed reactive monolith |
Área/s de conocimiento: | Química Inorgánica |
Fecha de publicación: | 1-ago-2021 |
Editor: | American Chemical Society |
Cita bibliográfica: | Industrial & Engineering Chemistry Research. 2021, 60(31): 11689-11698. https://doi.org/10.1021/acs.iecr.1c01483 |
Resumen: | In this study, the preferential CO oxidation (CO-PROX) reaction is simulated under advection–diffusion conditions in a CuO/CeO2 catalyst-supported monolith built by 3D-printing. The simulation incorporates the mass balances in the bulk of the fluid, the momentum balance, and the heterogeneous chemical reactions. In the monolith constricted channels, the fluid velocity is 80% larger than in the wider channels. Three reactive regimes are identified: the CO oxidation-dominated regime governing up to 85 °C and the early and late transition regimes where the H2 oxidation eventually increases. Up to 175 °C, a H2 oxidation-dominated reactive regime was not identified. The simulation accurately predicts experimental results of CO conversion and selectivity in the range from 25 to 175 °C. A sensitivity analysis demonstrates that the composition of gas mixture fed significantly affects the ratio of reaction rates and, consequently, the CO conversion and CO selectivity; meanwhile, the rate of gas injection yields moderate changes in reactivity. |
URI: | http://hdl.handle.net/10045/117541 |
ISSN: | 0888-5885 (Print) | 1520-5045 (Online) |
DOI: | 10.1021/acs.iecr.1c01483 |
Idioma: | eng |
Tipo: | info:eu-repo/semantics/article |
Derechos: | © 2021 American Chemical Society |
Revisión científica: | si |
Versión del editor: | https://doi.org/10.1021/acs.iecr.1c01483 |
Aparece en las colecciones: | INV - MCMA - Artículos de Revistas |
Archivos en este ítem:
Archivo | Descripción | Tamaño | Formato | |
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Aguilar-Madera_etal_2021_IndEngChemRes_final.pdf | Versión final (acceso restringido) | 4,85 MB | Adobe PDF | Abrir Solicitar una copia |
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