Publication date: 10th April 2024
Biomass, a form of renewable energy, can be converted into methane through anaerobic fermentation[1][2]. Dry Reforming of Methane (DRM) reaction can be induced by Ni nanoparticles on CeO2 catalyst. In this study, we focused on the methane dissociation reaction (CH4→CH3-+H+), which is considered to have the high activation energy in the DRM reaction process[3].
To understand the reaction mechanism within the methane dissociation reaction, we found that behavior of hydrogen ion of methane plays important role to reduce the activation energy by density functional theory. Simultaneously, the DRM reaction was experimentally performed using Ni supported CeO2 flowerlike-catalyst and the activation energy of methane dissociation was calculated from the methane consumption rate.
The resulting experimental value for the methane dissociation reaction was 0.69 eV (15.91 kcal/mol) and the DFT value was 0.80 eV (18.45 kcal/mol). Both values were very close, confirming the validity of our calculations. This result indicates the validity of this study for future catalyst design with dopants in CeO2. These results provide a deeper understanding of the reaction mechanism and factors governing the activation energy of methane dissociation reactions and provide clues for effective catalyst design for the DRM reaction.
This work was supported by JSPS KAKENHI, Fostering Joint International Research (B), Grant Number 20KK0248. In addition, the calculation was performed utilizing the computational resources provided by the deep learning support server administered by the Faculty of Materials for Energy at Shimane University. Also, the computation was carried out using the computer resource offered under the category of General Projects by Research Institute for Information Technology, Kyushu University. Also, we appreciate funding of Young Researcher Research Promotion supported by Shimane prefecture.
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