title: Applicability of molecular simulations for modelling the adsorption of the greenhouse gas CF4 on carbons.
abstract: Tetrafluoromethane, CF(4), 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 CF(4) 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.
authors.affiliation: Department of Chemistry, Physicochemistry of Carbon Materials Research Group, N Copernicus University, Toruń, Poland. sf@chem.umk.pl
authors.forename: Sylwester
authors.initials: S
authors.lastname: Furmaniak
authors.forename: Artur P
authors.initials: AP
authors.lastname: Terzyk
authors.forename: Piotr A
authors.initials: PA
authors.lastname: Gauden
authors.forename: Piotr
authors.initials: P
authors.lastname: Kowalczyk
authors.forename: Peter J F
authors.initials: PJ
authors.lastname: Harris
authors.forename: Stanisław
authors.initials: S
authors.lastname: Koter
mesh_terms: D000327:Adsorption; D002244:Carbon / Q000737:chemistry*; D003198:Computer Simulation; D017752:Greenhouse Effect; D006845:Hydrocarbons, Fluorinated / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation
chemical_list: D006845:Hydrocarbons, Fluorinated; D002244:Carbon; C538689:tetrafluoromethane