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Estimation of the pore-size distribution function from the nitrogen adsorption isotherm. Comparison of density functional theory and the method of Do and co-workers

journal contribution
posted on 2024-11-01, 06:47 authored by Piotr Kowalczyk, Artur Terzyk, Piotr Gauden, E LEBODA, G SZMECHTIG-GAUDEN, Gerard Rychlicki, Z RYU, H RONG
A comparative analysis of the results for the estimation of the pore-size distribution based on the methods of Do and co-workers (ND) and density functional theory (DFT) is given. A new algorithm (ASA, Adsorption Stochastic Algorithm) is adopted and it is shown that this algorithm can be successfully applied for the determination of the PSD curve from the ND method. The obtained results show that, generally, the ND and DFT methods lead to almost the same PSD curves and this similarity is observed for carbons of different origin and possessing different pore structures. However, if the contribution of micropores to the PSD increases, the differences in the fit of ND and DFT to the experimental data are more pronounced.

History

Related Materials

  1. 1.
    DOI - Is published in 10.1016/S0008-6223(03)00019-8
  2. 2.
    ISSN - Is published in 00086223

Journal

Carbon

Volume

41

Issue

6

Start page

1113

End page

1125

Total pages

13

Publisher

Pergamon

Place published

United Kingdom

Language

English

Copyright

© 2003 Elsevier Science Ltd. All rights reserved.

Former Identifier

2006014791

Esploro creation date

2020-06-22

Fedora creation date

2013-02-25

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