Molecular Simulation of Cyclohexane in Nanoporous Materials : Adsorption of Conformers and Coadsorption with Water and Carbon Dioxide
Molecular simulation is used to investigate the adsorption of an organic molecule and its different conformers into various nanoporous adsorbents. In more detail, we perform grand canonical Monte Carlo simulations to determine the adsorption isotherms for cyclohexane with its three conformers (chair...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1999. - 40(2024), 42 vom: 22. Okt., Seite 22027-22036 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2024
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article |
| Online verfügbar |
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