Using molecular simulation techniques, the adsorptive and diffusive behavior of argon in three models of disordered nanoporous carbons were investigated. It was found that the structural and morphological differences between these models gave rise to distinct phenomenological properties. The adsorptive behavior of argon in both the low and high pressure regimes was enhanced dramatically in the models with more crystalline microstructures. As for dynamic properties, it was found that the adsorbent's structure and energetic topology significantly altered the rates of diffusion as well as the characteristics of the underlying diffusion mechanisms.

Adsorption and Diffusion of Argon in Disordered Nanoporous Carbons. Palmer, J.C., Moore, J.D., Brennan, J.K., Gubbins, K.E.: Adsorption, 2011, 17[1], 189-99