How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments
A plausible model for the structure of non-graphitizing carbon is one which consists of curved, fullerene-like fragments grouped together in a random arrangement. Although this model was proposed several years ago, there have been no attempts to calculate the properties of such a structure. Here,...
| Main Authors: | , , , , , , |
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| Format: | Journal Article |
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Royal Society of Chemistry
2007
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| Online Access: | http://hdl.handle.net/20.500.11937/45647 |
| _version_ | 1848757343540477952 |
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| author | Terzyk, A. Furmaniak, S. Harris, P. Gauden, P. Wloch, J. Kowalczyk, Poitr Rychlicki, G. |
| author_facet | Terzyk, A. Furmaniak, S. Harris, P. Gauden, P. Wloch, J. Kowalczyk, Poitr Rychlicki, G. |
| author_sort | Terzyk, A. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | A plausible model for the structure of non-graphitizing carbon is one which consists of curved, fullerene-like fragments grouped together in a random arrangement. Although this model was proposed several years ago, there have been no attempts to calculate the properties of such a structure. Here, we determine the density, pore size distribution and adsorption properties of a model porous carbon constructed from fullerene-like elements. Using the method proposed recently by Bhattacharya and Gubbins (BG), which was tested in this study for ideal and defective carbon slits, the pore size distributions (PSDs) of the initial model and two related carbon models are calculated. The obtained PSD curves show that two structures are micromesoporous (with different ratio of micro/mesopores) and the third is strictly microporous. Using the grand canonical Monte Carlo (GCMC) method, adsorption isotherms of Ar (87 K) are simulated for all the structures. Finally PSD curves are calculated using the Horvath–Kawazoe, non-local density functional theory (NLDFT), Nguyen and Do, and Barrett–Joyner–Halenda (BJH) approaches, and compared with those predicted by the BG method. This is the first study in which different methods of calculation of PSDs for carbons from adsorption data can be really verified, since absolute (i.e. true) PSDs are obtained using the BG method. This is also the first study reporting the results of computer simulations of adsorption on fullerene-like carbon models. |
| first_indexed | 2025-11-14T09:26:35Z |
| format | Journal Article |
| id | curtin-20.500.11937-45647 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T09:26:35Z |
| publishDate | 2007 |
| publisher | Royal Society of Chemistry |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-456472017-09-13T14:23:35Z How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments Terzyk, A. Furmaniak, S. Harris, P. Gauden, P. Wloch, J. Kowalczyk, Poitr Rychlicki, G. A plausible model for the structure of non-graphitizing carbon is one which consists of curved, fullerene-like fragments grouped together in a random arrangement. Although this model was proposed several years ago, there have been no attempts to calculate the properties of such a structure. Here, we determine the density, pore size distribution and adsorption properties of a model porous carbon constructed from fullerene-like elements. Using the method proposed recently by Bhattacharya and Gubbins (BG), which was tested in this study for ideal and defective carbon slits, the pore size distributions (PSDs) of the initial model and two related carbon models are calculated. The obtained PSD curves show that two structures are micromesoporous (with different ratio of micro/mesopores) and the third is strictly microporous. Using the grand canonical Monte Carlo (GCMC) method, adsorption isotherms of Ar (87 K) are simulated for all the structures. Finally PSD curves are calculated using the Horvath–Kawazoe, non-local density functional theory (NLDFT), Nguyen and Do, and Barrett–Joyner–Halenda (BJH) approaches, and compared with those predicted by the BG method. This is the first study in which different methods of calculation of PSDs for carbons from adsorption data can be really verified, since absolute (i.e. true) PSDs are obtained using the BG method. This is also the first study reporting the results of computer simulations of adsorption on fullerene-like carbon models. 2007 Journal Article http://hdl.handle.net/20.500.11937/45647 10.1039/b710552e Royal Society of Chemistry restricted |
| spellingShingle | Terzyk, A. Furmaniak, S. Harris, P. Gauden, P. Wloch, J. Kowalczyk, Poitr Rychlicki, G. How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments |
| title | How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments |
| title_full | How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments |
| title_fullStr | How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments |
| title_full_unstemmed | How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments |
| title_short | How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments |
| title_sort | how realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments |
| url | http://hdl.handle.net/20.500.11937/45647 |