Predicting gas adsorption in complex microporous and mesoporous materials using a new density functional theory of finely discretized lattice fluids
We introduce a nonlocal on-lattice version of density functional theory (DFT) that allows for efficient modeling of fluids in complex inhomogeneous materials. In its previous implementations, classical DFT has required fine discretization of the fluid density. As a result, in studies of gas adsorpti...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1991. - 25(2009), 3 vom: 03. Feb., Seite 1296-9 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2009
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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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