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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 article   Peer reviewed

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

Piotr Kowalczyk, Artur P Terzyk, Piotr A Gauden, Roman Leboda, Ewa Szmechtig-Gauden, Gerhard Rychlicki, Zhenyu Ryu and Haiqin Rong
Carbon, Vol.41(6), pp.1113-1125
2003

Abstract

A. Activated carbon C. Adsorption, Modeling D. Porosity
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.

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Collaboration types
Domestic collaboration
International collaboration
Citation topics
2 Chemistry
2.90 Water Treatment
2.90.27 Adsorption
Web Of Science research areas
Chemistry, Physical
Materials Science, Multidisciplinary
ESI research areas
Chemistry
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