GAS ADSORPTION ON CARBON NANOHORN AGGREGATES

摘要

We evaluate a simple model of adsorption to predict the possible adsorbed phases of gases on a triangular array of parallel tubes as a function of the distance between the tubes and the external pressure. Based on these results, we propose a model for the interstitial spaces in a nanohorn aggregate that combines two regions with different separations between the tubes. We perform Grand Canonical Monte Carlo simulations for particular choices of the aggregates' geometry. Adsorption isotherms are presented for the cases of Ne and CF_4. Comparison with experimental results allows us to obtain information on the structure of the aggregates that is then use to predict the adsorption behavior of other gases.