Ni-containing CeO$_2$ rods for dry reforming of methane : activity tests and a multiscale lattice Boltzmann model analysis in two model geometries

Strniša, Filip (author), Sagar, Vikram Tatiparthi (author), Djinović, Petar (author), Pintar, Albin (author), Plazl, Igor (author)

Experimental and theoretical modeling on low-temperature dry methane reforming over Ni-containing CeO$_2$ rods was studied. The catalyst was characterized by means of N$_2$ physisorption, in-situ XRD, TPR and H$_2$ chemisorption techniques. The characterization studies revealed the distortion of CeO$_2$ flourite structure due to the Ni incorporation. Lattice expansion (due to reduction) and contraction (due to oxidation) suggest the reversible redox nature of CeO$_2$. Ni–O–Ce solid solution formation was evidenced by both XRD and TPR studies. H$_2$ chemisorption study revealed that the catalyst reduction temperature plays a significant role in Ni dispersion. The catalyst showed similar activity trends in two model geometries: a between-two-plates microchannel fixed-bed reactor and a conventional fixed-bed reactor. The activity tests were conducted in the kinetic regime, where conversions of CH$_4$ were not influenced with the gas flow rate. A lattice Boltzmann model for mixed gas flow was developed along with a boundary condition for catalytic sites. The lattice Boltzmann model was used in a multiscale simulation of the studied reaction systems and produced data that qualitatively matched the experiments.

• Language: English
• Keywords: dry reforming of methane, nickel-cerium(IV) oxide rods, lattice Boltzmann method, multiscale modeling, Ni–CeO$_2$ rods
• Work type: Article
• Typology: 1.01 - Original Scientific Article
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Publication status: Published
• Publication version: Version of Record
• Year: 2021
• Number of pages: 13 str.
• Numbering: Vol. 413, art. 127498
• PID: 20.500.12556/RUL-127096
• UDC: 66.092.81
• ISSN on article: 1385-8947
• DOI: 10.1016/j.cej.2020.127498
• COBISS.SI-ID: 34724867
• Publication date in RUL: 17.05.2021

Record is a part of a journal

• Title: Chemical engineering journal
• Shortened title: Chem. eng. j.
• Publisher: Elsevier
• ISSN: 1385-8947
• COBISS.SI-ID: 2110998

Licences

• License: CC BY-NC-ND 4.0, Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
• Link: http://creativecommons.org/licenses/by-nc-nd/4.0/
• Description: The most restrictive Creative Commons license. This only allows people to download and share the work for no commercial gain and for no other purposes.

Secondary language

• Language: Slovenian
• Keywords: suhi reforming metana, nikelj-cerijev(IV) oksid, delci, lattice Boltzmanova metoda, večnivojsko modeliranje