abstract

• 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%25 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. © 2021 American Chemical Society.

authors

• Aguilar-Madera C.G.
• Bailón-García E.
• Bueno-López A.
• Chaparro-Garnica C.Y.
• Davó-Quiñonero A.
• García-Hernández E.
• Herrera Hernández Erik César
• Lozano-Castelló D.
• Ocampo Pérez Raúl

publication date

• 2021-01-01

published in

• Industrial and Engineering Chemistry Research  Journal

keywords

• Advection; Copper oxides; Diffusion in liquids; Oxidation; Reaction rates; Sensitivity analysis; Advection - Diffusion; CO selectivity; Constricted channels; Fluid velocities; Heterogeneous chemical reaction; Momentum balances; Preferential CO oxidation; Transition regimes; 3D printers

Digital Object Identifier (DOI)

• 10.1021/acs.iecr.1c01483

PubMed ID

start page

• 11689

end page

• 11698

volume

• 60

issue

• 31