Mass transport of O2 and N2 in nanoporous carbon (C168 schwarzite) using a quantum mechanical force field and molecular dynamics simulations
A hierarchical approach is used to calculate the single-component fluxes of N2 and O2 in nanoporous carbon molecular sieves (represented by C168 schwarzite) over a wide range of pressures and pressure drops. The self- and corrected diffusivities are calculated using equilibrium molecular dynamics si...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 22(2006), 10 vom: 09. Mai, Seite 4620-8 |
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| Format: | Aufsatz |
| Sprache: | English |
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2006
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article |