Author/Authors :
Furmaniak، نويسنده , , Sylwester and Terzyk، نويسنده , , Artur P. and Kaneko، نويسنده , , Katsumi and Gauden، نويسنده , , Piotr A. and Kowalczyk، نويسنده , , Piotr and Ohba، نويسنده , , Tomonori، نويسنده ,
Abstract :
Using the first realistic model of single walled carbon nanohorn and molecular simulation data we show the 3D graphs relating the selectivity of CO2/CH4 separation with a surface to volume ratio of a nanohorn, the total mixture pressure and the mole fraction of CO2 in the bulk phase. It is proved that surface to volume ratio is a crucial parameter determining the selectivity. Finally, the equation is proposed, making possible to predict the selectivity of a nanohorn for separation of CO2/CH4 mixture.