Theoretical investigation of catalytic n-butane isomerization over H-SSZ-13
Hybrid density functional theory calculations are used to investigate different mechanisms of the isomerization of n-butane to isobutane via intermediate formation of olefins. The monomolecular mechanism for isomerization of butene and isobutene is found to be prevalent, with a Gibbs free energy bar...
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| Autori principali: | , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Frontiers Media S.A.
2023-07-01
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| Serie: | Frontiers in Catalysis |
| Soggetti: | |
| Accesso online: | https://www.frontiersin.org/articles/10.3389/fctls.2023.1213803/full |
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