Theoretical study of the side reactions of the catalytic conversion of ethanol to butadiene on metal oxide catalysts
Side reactions of the ethanol-to-butadiene conversion catalyzed by MgO or ZnO were analyzed by density functional theory. We examined acetaldehyde disproportion to generate ethyl acetate, the hydrolysis of ethyl acetate to acetic acid, and the ketonization of acetic acid to generate acetone and CO2....
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-01-01
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| Series: | Catalysis Communications |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1566736720303150 |