Molecular simulations of water and paracresol in MFI zeolite--a Monte Carlo study
Paracresol is a protein-bound toxin that is not efficiently eliminated by the hemodialysis method. Monte Carlo simulations in grand-canonical (GCMC) and canonical ensembles were performed to investigate the adsorption of paracresol and water in silicalite-1 zeolite. GCMC simulations using a configur...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 25(2009), 19 vom: 06. Okt., Seite 11598-607
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| 1. Verfasser: |
Narasimhan, L
(VerfasserIn) |
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| Weitere Verfasser: |
Boulet, Pascal,
Kuchta, Bogdan,
Schaef, Oliver,
Denoyel, Renaud,
Brunet, Philippe |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2009
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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
Cresols
Water
059QF0KO0R
Zeolites
1318-02-1
4-cresol
1MXY2UM8NV |
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