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Direct conversion of methane to methanol on Fe-Porphyrin: A DFT study |
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| รหัสดีโอไอ | |
| Creator | 1. Bundet Boekfa 2. Kedubon Pitak 3. Songtham Ruangchaithaweesuk 4. Thana Maihom 5. Piti Treesukol |
| Title | Direct conversion of methane to methanol on Fe-Porphyrin: A DFT study |
| Publisher | Faculty of Engineering, Khon Kaen University |
| Publication Year | 2559 |
| Journal Title | KKU Engineering Journal |
| Journal Vol. | 43 |
| Journal No. | S3 |
| Page no. | 416-418 |
| Keyword | Oxidation of methane to methanol, Fe-Porphyrin, DFT, Reaction mechanism |
| ISSN | 0125-8273 |
| Abstract | Catalytic oxidation of methane to methanol is one of the most attractive processes for effective natural gas resource utilization. Fe-Porphyrin catalyzed oxidation of methane to methanol with nitrous oxide as an oxidant has been studied by DFT calculation. The nitrous decomposition on the supported Fe particle is the first step with the activation energy of 17.9 kcal/mol. The oxidation of methane to methanol is proposed to be a two-step mechanism: the C-H bond breaking and the methanol formation. The activation energies are 26.6 and 3.0 kcal/mol, respectively. Therefore C-H bond breaking is the rate determining step. Fe-Porphyrin could be a promising material for the oxidation of methane to methanol. |
