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Theoretical study of hydrodesulfurization of thiophene by acid and zeolite catalysts |
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| รหัสดีโอไอ | |
| Title | Theoretical study of hydrodesulfurization of thiophene by acid and zeolite catalysts |
| Creator | Pawanee Pholtem |
| Contributor | Vithaya Ruangpornvisuti |
| Publisher | Chulalongkorn University |
| Publication Year | 2550 |
| Keyword | Hydrodesulfurization, Thiophenes, Zeolite catalysts |
| Abstract | Reaction mechanisms, energetic and thermodynamic properties of thiophene conversion to 1-butene in acid catalyzed system and in H-ZSM-5 catalyst were investigated using quantum chemical calculations at the MP2/6-311+G (d,p) and B3LYP/6-31G (d) levels of theory, respectively. Nine reaction steps and three pathways of side reaction for acid-catalyzed system and eleven reaction steps for H-ZSM-5 catalytic system were found. At the first step for acid-catalyzed system and at the third step for the H-ZSM-5 catalytic reaction system are hydrogenation reaction and found to be the rate determining step. |
| URL Website | cuir.car.chula.ac.th |
