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Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal–organic frameworks
We perform Grand Canonical Monte Carlo simulations on a lattice of Mg(2+) sites (GCMC) for adsorption of four binary A/B mixtures, CH(4)/N(2), CO/N(2), CO(2)/N(2), and CO(2)/CH(4), in the metal–organic framework Mg(2)(2,5-dioxidobenzedicarboxylate), also known as CPO-27–Mg or Mg–MOF-74. We present a...
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| Veröffentlicht in: | Chem Sci |
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| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
The Royal Society of Chemistry
2019
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8146500/ https://ncbi.nlm.nih.gov/pubmed/34123036 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c9sc03008e |
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