The influence of the carbon surface chemical composition on Dubinin-Astakhov equation parameters calculated from SF6 adsorption data-grand canonical Monte Carlo simulation

Sylwester Furmaniak; Artur P. Terzyk; Piotr A. Gauden; Piotr Kowalczyk; Peter J. F. Harris

doi:10.1088/0953-8984/23/39/395005

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The influence of the carbon surface chemical composition on Dubinin-Astakhov equation parameters calculated from SF6 adsorption data-grand canonical Monte Carlo simulation

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The influence of the carbon surface chemical composition on Dubinin-Astakhov equation parameters calculated from SF6 adsorption data-grand canonical Monte Carlo simulation

Sylwester Furmaniak, Artur P. Terzyk, Piotr A. Gauden, Piotr Kowalczyk and Peter J. F. Harris

Journal of Physics: Condensed Matter, Vol.23(39), 395005

2011

DOI: https://doi.org/10.1088/0953-8984/23/39/395005

PMID: 21921311

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Abstract

Using grand canonical Monte Carlo simulation we show, for the first time, the influence of the carbon porosity and surface oxidation on the parameters of the Dubinin-Astakhov (DA) adsorption isotherm equation. We conclude that upon carbon surface oxidation, the adsorption decreases for all carbons studied. Moreover, the parameters of the DA model depend on the number of surface oxygen groups. That is why in the case of carbons containing surface polar groups, SF6 adsorption isotherm data cannot be used for characterization of the porosity.

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Title: The influence of the carbon surface chemical composition on Dubinin-Astakhov equation parameters calculated from SF6 adsorption data-grand canonical Monte Carlo simulation
Authors/Creators: Sylwester Furmaniak - Materials Research Group (United States)
Artur P. Terzyk - Materials Research Group (United States)
Piotr A. Gauden - Materials Research Group (United States)
Piotr Kowalczyk - Curtin University
Peter J. F. Harris - University of Reading
Publication Details: Journal of Physics: Condensed Matter, Vol.23(39), 395005
Publisher: IOP Publishing Ltd
Number of pages: 6
Grant note: Foundation for Polish Science
Identifiers: 991005560361607891
Copyright: © 2011 IOP Publishing Ltd
Murdoch Affiliation: Centre for Water, Energy and Waste
Language: English
Resource Type: Journal article

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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: Physics, Condensed Matter
ESI research areas: Physics