Surface to volume ratio of carbon nanohorn - a crucial factor in co 2/ch4 mixture separation
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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.
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Furmaniak, S.; Terzyk, A.; Kowalczyk, Piotr; Kaneko, K.; Gauden, P. (2013)Using realistic models of single-walled carbon nanohorns and their single-walled carbon nanotube counterparts, we study the equilibrium separation of CO2–CH4 mixtures near ambient operating conditions by using molecular ...
Terzyk, A.; Gauden, P.; Furmaniak, S.; Kowalczyk, Piotr (2012)We present first MD simulation results of C60 adsorption inside a single-walled carbon nanohorn. The assumed carbon nanohorn model and the values of the force field parameters lead to relatively good agreement between ...
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