Molecular Dynamics Simulations for Loading-Dependent Diffusion of CO2, SO2, CH4, and Their Binary Mixtures in ZIF-10 : The Role of Hydrogen Bond
The loading-dependent diffusion behavior of CH4, CO2, SO2, and their binary mixtures in ZIF-10 has been investigated in detail by using classical molecular dynamics simulations. Our simulation results demonstrate that the self-diffusion coefficient Di of CH4 molecules decreases sharply and monotonic...
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Bibliographische Detailangaben
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 33(2017), 42 vom: 24. Okt., Seite 11543-11553
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| 1. Verfasser: |
Li, Li
(VerfasserIn) |
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| Weitere Verfasser: |
Yang, Deshuai,
Fisher, Trevor R,
Qiao, Qi,
Yang, Zhen,
Hu, Na,
Chen, Xiangshu,
Huang, Liangliang |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2017
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids
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| Schlagworte: | Journal Article
Research Support, Non-U.S. Gov't |
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