Szczegóły publikacji

Opis bibliograficzny

Autorzy (3)

• AGHKwiatkowski Mirosław
• Fierro Vanessa
• Celzard Alain

Słowa kluczowe

Dane bibliometryczne

ID BaDAP	125387
Data dodania do BaDAP	2019-10-28
Tekst źródłowy	URL
DOI	10.1007/s10450-019-00129-y
Rok publikacji	2019
Typ publikacji	artykuł w czasopiśmie
Otwarty dostęp
Creative Commons
Czasopismo/seria	Adsorption

Abstract

Herein, a comprehensive analysis of DFT methods as a tool for evaluating the impact of the nature of the activating agent on the porous structure of activated carbons derived from hazelnut shells is given. The study was based on the use of NLDFT, QSDFT, and 2D-NLDFT methods applied to nitrogen adsorption isotherms, and the results were compared with those formerly obtained by using DR, BET, and LBET methods. Analyses conducted with NLDFT, QSDFT, and 2D-NLDFT revealed a very strong dependence of the results on assumptions about the specific pore model, which calls into question the reliability and credibility of these methods. However, if one takes into account the measurement errors that may during the determination of the adsorption isotherms, as well as the difficulty of selecting a representative sample in a batch of materials (most often non-homogeneous) to be analysed, some imperfections of the DFT methods become acceptable. The analyses in question revealed some limitations of the LBET method which became obvious when the analysis concerned bimodal porous materials with a considerable proportion of mesopores. In such cases, the LBET method, which was formerly designed for analysing microporous materials, may become less reliable.

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