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

Furmaniak, Sylwester; Terzyk, A.; Gauden, P.; Kowalczyk, Piotr; Harris, P.

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

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Authors

Furmaniak, Sylwester

Terzyk, A.

Gauden, P.

Kowalczyk, Piotr

Harris, P.

Date

2011

Type

Journal Article

Metadata

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Citation

Furmaniak, Sylwester and Terzyk, Artur P. and Gauden, Piotr A. and Kowalczyk, Piotr and Harris, Peter J.F. 2011. The influence of the carbon surface chemical composition on Dubinin-Astakhov equation parameters calculated from SF6 adsorption data: grand canonical Monte Carlo simulation. Journal of Physics: Condensed Matter. 23: pp. 395005.

Source Title

Journal of Physics: Condensed Matter

DOI

10.1088/0953-8984/23/39/395005

ISSN

0953-8984

School

Department of Applied Chemistry

Remarks

URI

http://hdl.handle.net/20.500.11937/11771

Collection

Curtin Research Publications

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.