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

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… CONTINUE READING