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Theoretical isosteric heat of adsorption calculation in the Henry's law region for carbon nanopores and nanocavities

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dc.contributor.advisor LeVan, M. Douglas, 1949-
dc.contributor.author Liu, Jian
dc.date.accessioned 2009-07-26T18:28:30Z
dc.date.available 2009-07-26T18:28:30Z
dc.date.issued 2009-03-30
dc.identifier.uri http://hdl.handle.net/1803/3244
dc.description Graduate Student Research Symposium (GSRS) en
dc.description.abstract The isosteric heat of adsorption in the Henry's law region is calculated as a function of the pore width for carbon single wall cylindrical nanopores and spherical nanocavities. The maximum isosteric heat of adsorption is obtained for six gas molecules: argon, methane, carbon dioxide, hydrogen, helium, and nitrogen. In addition, the results for cylindrical carbon nanopores are compared with adsorption data on single-wall carbon nanotubes from the literature. We find the pore width where the isosteric heat of adsorption is a maximum for both geometries. The effect of solid-fluid parameters on the pore diameter for the maximum isosteric heat of adsorption is determined for any system described by a Lennard-Jones potential. Constant relationships between the pore diameters for the maximum isosteric heat of adsorption and the specific solid-fluid parameters are found for cylindrical nanopores, spherical nanocavities, and parallel-wall slit-shaped pores. Surface mean curvature has a significant influence on the isosteric heat of adsorption. en
dc.language.iso en_US en
dc.publisher Vanderbilt University. Graduate School en
dc.subject heat of adsorption en
dc.subject carbon nanotube en
dc.subject.lcsh Gases -- Absorption and adsorption en
dc.subject.lcsh Henry's law en
dc.subject.lcsh Nanostructured materials en
dc.title Theoretical isosteric heat of adsorption calculation in the Henry's law region for carbon nanopores and nanocavities en
dc.type Presentation en
dc.description.college School of Engineering en
dc.description.school Graduate School en
dc.description.department Deparment of Chemical and Biomolecular Engineering en


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