The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm
We present the results of a systematic study of the influence of carbon surface oxidation on Dubinin–Astakhov isotherm parameters obtained from the fitting of CO2 adsorption data. Using GCMC simulations of adsorption on realistic VPC models differing in porosity and containing the most frequently oc...
| Main Authors: | , , , , |
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| Format: | Journal Article |
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IOP Publishing Ltd
2010
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| Online Access: | http://iopscience.iop.org/0953-8984/22/8/085003 http://hdl.handle.net/20.500.11937/43276 |
| _version_ | 1848756646428278784 |
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| author | Furmaniak, S. Terzyk, A. Gauden, P. Harris, P. Kowalczyk, Poitr |
| author_facet | Furmaniak, S. Terzyk, A. Gauden, P. Harris, P. Kowalczyk, Poitr |
| author_sort | Furmaniak, S. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | We present the results of a systematic study of the influence of carbon surface oxidation on Dubinin–Astakhov isotherm parameters obtained from the fitting of CO2 adsorption data. Using GCMC simulations of adsorption on realistic VPC models differing in porosity and containing the most frequently occurring carbon surface functionalities (carboxyls, hydroxyls and carbonyls) and their mixtures, it is concluded that the maximum adsorption calculated from the DA model is not strongly affected by the presence of oxygen groups. Unfortunately, the same cannot be said of the remaining two parameters of this model i.e. the heterogeneity parameter (n) and the characteristic energy of adsorption (E0). Since from the latter the pore diameters of carbons are usually calculated, by inverse-type relationships, it is concluded that they are questionable for carbons containing surface oxides, especially carboxyls. |
| first_indexed | 2025-11-14T09:15:30Z |
| format | Journal Article |
| id | curtin-20.500.11937-43276 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T09:15:30Z |
| publishDate | 2010 |
| publisher | IOP Publishing Ltd |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-432762017-02-28T01:46:26Z The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm Furmaniak, S. Terzyk, A. Gauden, P. Harris, P. Kowalczyk, Poitr The influence of carbon surface oxygen - groups on Dubinin–Astakhov equation - parameters calculated from CO2 - adsorption isotherm We present the results of a systematic study of the influence of carbon surface oxidation on Dubinin–Astakhov isotherm parameters obtained from the fitting of CO2 adsorption data. Using GCMC simulations of adsorption on realistic VPC models differing in porosity and containing the most frequently occurring carbon surface functionalities (carboxyls, hydroxyls and carbonyls) and their mixtures, it is concluded that the maximum adsorption calculated from the DA model is not strongly affected by the presence of oxygen groups. Unfortunately, the same cannot be said of the remaining two parameters of this model i.e. the heterogeneity parameter (n) and the characteristic energy of adsorption (E0). Since from the latter the pore diameters of carbons are usually calculated, by inverse-type relationships, it is concluded that they are questionable for carbons containing surface oxides, especially carboxyls. 2010 Journal Article http://hdl.handle.net/20.500.11937/43276 http://iopscience.iop.org/0953-8984/22/8/085003 IOP Publishing Ltd restricted |
| spellingShingle | The influence of carbon surface oxygen - groups on Dubinin–Astakhov equation - parameters calculated from CO2 - adsorption isotherm Furmaniak, S. Terzyk, A. Gauden, P. Harris, P. Kowalczyk, Poitr The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm |
| title | The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm |
| title_full | The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm |
| title_fullStr | The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm |
| title_full_unstemmed | The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm |
| title_short | The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm |
| title_sort | influence of carbon surface oxygen groups on dubinin–astakhov equation parameters calculated from co2 adsorption isotherm |
| topic | The influence of carbon surface oxygen - groups on Dubinin–Astakhov equation - parameters calculated from CO2 - adsorption isotherm |
| url | http://iopscience.iop.org/0953-8984/22/8/085003 http://hdl.handle.net/20.500.11937/43276 |