Tuning the catalytic active sites of ▫$TiO_2/CeO_2$▫ interactions to improve oxygen vacancy and lattice parameters for ▫$CO_2$▫ conversion to green fuel additive

Kumar, Praveen (author), Kaur, Ramanpreet (author), Verma, Shilpi (author), Singh, Seema (author), Lavrenčič Štangar, Urška (author)

In recent years, the conversion of carbon dioxide (CO$_2$) to value-added products has become an area of great interest, both from an industrial and environmental perspective. Here we have successfully synthesized TiO$_2/CeO_2$-based catalysts by exo- and endo-template and use for direct conversion of CO$_2$ to dimethyl carbonate (DMC). It was found that the catalytic activity of TiO$_2/CeO_2$ catalysts depends on the acidic and basic sites present in the catalyst. The study also investigated the optimization of reaction conditions in a batch reactor. It was found that the catalytic activity of TiO$_2/CeO_2$-based catalysts significantly enhances the CO$_2$ conversion and achieves a high DMC yield compared to the performance of pure CeO$_2$ and TiO$_2$. The reusability of the TiO$_2/CeO_2$ catalysts was examined as well. Additionally, the heat of the reaction and Gibbs free energy were calculated using chemical equilibrium models. The experimental response data was validated using artificial neural networks (ANN). The R2 values between the expected and experimental results for DMC yield and CO$_2$ conversion were 0.9953 and 0.9969, respectively. The developed ANN model successfully predicts the percentage of CO$_2$ conversion and DMC yield under the given reaction conditions, with prediction accuracy MSE of 0.0013 and 0.0008, respectively.

• Language: English
• Keywords: carbon dioxide conversion, catalysts, dimethyl carbonate, ANN modelling, Gibbs energy
• 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: 2024
• Number of pages: 11 str.
• Numbering: Vol. 433, art. 114652
• PID: 20.500.12556/RUL-155772
• UDC: 546.264-31:544.47
• ISSN on article: 0920-5861
• DOI: 10.1016/j.cattod.2024.114652
• COBISS.SI-ID: 191215875
• Publication date in RUL: 17.04.2024

Record is a part of a journal

• Title: Catalysis today
• Shortened title: Catal. today
• Publisher: Elsevier
• ISSN: 0920-5861
• COBISS.SI-ID: 15324421

Licences

• License: CC BY 4.0, Creative Commons Attribution 4.0 International
• Link: http://creativecommons.org/licenses/by/4.0/
• Description: This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.

Secondary language

• Language: Slovenian
• Keywords: pretvorba ogljikovega dioksida, katalizatorji, dimetil karbonat, modeliranje z ANN, Gibbsova energija