A DFT Study for Catalytic Deoxygenation of Methyl Butyrate on a Lewis Acid Site of ZSM-5 Zeolite
The catalytic deoxygenation mechanism of fatty acid esters on a Lewis acid site of ZSM-5 zeolite was elucidated via density functional theory (DFT) by using a methyl butyrate (MB) as the model compound for fatty acid esters. The configurations of the initial reactant, transition states, and products...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-10-01
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| Series: | Catalysts |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4344/10/11/1233 |