Accessibility navigation


The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm

Downloads

Downloads per month over past year

Furmaniak, S., Terzyk, A. P., Gauden, P. A., Harris, P. J. F. and Kowalczyk, P. (2010) The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm. Journal of Physics: Condensed Matter, 22 (8). 085003. ISSN 0953-8984

[img] Text - Accepted Version
· Please see our End User Agreement before downloading.

202Kb

To link to this article DOI: 10.1088/0953-8984/22/8/085003

Abstract/Summary

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.

Item Type:Article
Refereed:Yes
Divisions:Interdisciplinary centres and themes > Nanoscience and Materials
Interdisciplinary centres and themes > Chemical Analysis Facility (CAF) > Electron Microscopy Laboratory (CAF)
ID Code:19568
Publisher:Institute of Physics Publishing

Download Statistics for this item.

University Staff: Request a correction | Centaur Editors: Update this record

Page navigation