Modeling of Heterogeneous Surfaces and Characterization of Porous Materials by Extending Density Functional Theory for the Case of Amorphous Solids Full article
Conference |
6th International Symposium of Surface Heterogeneity Effects in Adsorption and Catalysis on Solids 28 Aug - 2 Sep 2006 , Zakopane |
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Journal |
Applied Surface Science
ISSN: 0169-4332 |
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Output data | Year: 2007, Volume: 253, Number: 13, Pages: 5610-5615 Pages count : 6 DOI: 10.1016/j.apsusc.2006.12.073 | ||||||
Tags | Activated carbons, Amorphous surface, Characterization, Density functional theory | ||||||
Authors |
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Affiliations |
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Funding (2)
1 | Russian Foundation for Basic Research | 06-03-32268 |
2 | Australian Research Council |
Abstract:
A method of characterization of carbonaceous materials using nongraphitized carbon black as a reference is considered. The Tarazona density functional theory was applied to amorphous solids to describe nitrogen adsorption on nongraphitized carbon black. This allows us to describe energetic heterogeneity without the need to invoke any energy distribution functions. To derive the pore size distribution (PSD) of porous carbon whose pore walls are non-graphitized, we used the entropy concept in the regularization method. With this approach PSD is more well-behaved than that obtained with the usual means. We applied this new theory to study the effects of technological parameters on porous structure of a series of activated carbon.
Cite:
Ustinov E.A.
, Do D.D.
, Fenelonov V.B.
Modeling of Heterogeneous Surfaces and Characterization of Porous Materials by Extending Density Functional Theory for the Case of Amorphous Solids
Applied Surface Science. 2007. V.253. N13. P.5610-5615. DOI: 10.1016/j.apsusc.2006.12.073 WOS Scopus РИНЦ
Modeling of Heterogeneous Surfaces and Characterization of Porous Materials by Extending Density Functional Theory for the Case of Amorphous Solids
Applied Surface Science. 2007. V.253. N13. P.5610-5615. DOI: 10.1016/j.apsusc.2006.12.073 WOS Scopus РИНЦ
Dates:
Published online: | Dec 27, 2006 |
Published print: | Apr 30, 2007 |
Identifiers:
Web of science | WOS:000246544300009 |
Scopus | 2-s2.0-34247159881 |
Elibrary | 13544992 |
Chemical Abstracts | 2007:449231 |
Chemical Abstracts (print) | 148:593759 |
OpenAlex | W1991266885 |