Applicability of molecular simulations for modelling the adsorption of the greenhouse gas CF4 on carbons
Tetrafluoromethane, CF4, is a 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...
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| Veröffentlicht in: | Journal of physics. Condensed matter 2013-01, Vol.25 (1), p.015004-015004 |
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| container_title | Journal of physics. Condensed matter |
| container_volume | 25 |
| creator | Furmaniak, Sylwester Terzyk, Artur P Gauden, Piotr A Kowalczyk, Piotr Harris, Peter J F Koter, Stanis aw |
| description | Tetrafluoromethane, CF4, is a 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. |
| doi_str_mv | 10.1088/0953-8984/25/1/015004 |
| format | Article |
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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.</description><identifier>ISSN: 0953-8984</identifier><identifier>EISSN: 1361-648X</identifier><identifier>DOI: 10.1088/0953-8984/25/1/015004</identifier><identifier>PMID: 23220791</identifier><identifier>CODEN: JCOMEL</identifier><language>eng</language><publisher>Bristol: IOP Publishing</publisher><subject>Adsorption ; Carbon - chemistry ; Chemistry ; Computer Simulation ; Exact sciences and technology ; General and physical chemistry ; Greenhouse Effect ; Hydrocarbons, Fluorinated - chemistry ; Models, Chemical ; Models, Molecular ; Molecular Dynamics Simulation ; Solid-gas interface ; Surface physical chemistry</subject><ispartof>Journal of physics. 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| ispartof | Journal of physics. Condensed matter, 2013-01, Vol.25 (1), p.015004-015004 |
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| language | eng |
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| source | MEDLINE; IOP Publishing Journals; Institute of Physics (IOP) Journals - HEAL-Link |
| subjects | Adsorption Carbon - chemistry Chemistry Computer Simulation Exact sciences and technology General and physical chemistry Greenhouse Effect Hydrocarbons, Fluorinated - chemistry Models, Chemical Models, Molecular Molecular Dynamics Simulation Solid-gas interface Surface physical chemistry |
| title | Applicability of molecular simulations for modelling the adsorption of the greenhouse gas CF4 on carbons |
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