Applicability of molecular simulations for modelling the adsorption of the greenhouse gas CF4 on carbons

Furmaniak, S., Terzyk, A. P., Gauden, P. A., Kowalczyk, P., Harris, P. J.F. and Koter, S. (2013) Applicability of molecular simulations for modelling the adsorption of the greenhouse gas CF4 on carbons. Journal of Physics: Condensed Matter, 25 (1). 015004. ISSN 1361-648X doi: 10.1088/0953-8984/25/1/015004

Abstract/Summary

Tetrafluoromethane, CF4, is powerful greenhouse gas, and the possibility of storing it in microporous carbon has been widely studied. In this paper we show, for the first time, that the results of molecular simulations can be very helpful in the study of CF4 adsorption. Moreover, experimental data fit to the results collected from simulations. We explain the meaning of the empirical parameters of the supercritical Dubinin–Astakhov model proposed by Ozawa and finally the meaning of the parameter k of the empirical relation proposed by Amankwah and Schwarz.

Item Type	Article
URI	https://reading-clone.eprints-hosting.org/id/eprint/30246
Identification Number/DOI	10.1088/0953-8984/25/1/015004
Refereed	Yes
Divisions	Interdisciplinary centres and themes > Chemical Analysis Facility (CAF) > Electron Microscopy Laboratory (CAF)
Publisher	Institute of Physics Publishing
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