THEORETICAL STUDY OF THE ADSORPTION OF PROPIONIC ACID OVER Cu<sub>15</sub AND Pd<sub>15</sub> CLUSTERS
Now the world has a certain interest in methods for producing hydrocarbon fuels from fats. The most modern and advanced way of these reactions is the deoxygenation (decarbonylation / decarboxylation) acids. As catalysts for these reactions palladium nanoparticles are used. Now attempts are being mad...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | Russian |
| Published: |
MIREA - Russian Technological University
2013-10-01
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| Series: | Тонкие химические технологии |
| Subjects: | |
| Online Access: | https://www.finechem-mirea.ru/jour/article/view/526 |
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| Summary: | Now the world has a certain interest in methods for producing hydrocarbon fuels from fats. The most modern and advanced way of these reactions is the deoxygenation (decarbonylation / decarboxylation) acids. As catalysts for these reactions palladium nanoparticles are used. Now attempts are being made to replace it with a cheaper metal – copper or nickel. The mechanism of these reactions are currently poorly understood. Great help in resolving this issue may have a quantum-chemical methods. This paper describes the energy characteristics of the various structures that may be implemented in the adsorption molecule fatty acid on copper and palladium clusters. |
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| ISSN: | 2410-6593 2686-7575 |