Microscopic model of carbonaceous nanoporous molecular sieves-anomalous transport in molecularly confined spaces

To model the equilibrium and transport properties of carbonaceous molecular sieves (CMS) (i.e., carbon membranes, coals, activated carbons with ink-bottle pore geometry, etc.) the new microscopic turbostratic carbon pore model (TCPM) is developed. Analysis of experimental Gibbs excess of methane adsorption on Shirasagi CMS 3K-161 at 298 K indicates that investigated CMS is structurally a heterogonous material (i.e., it is composed of slit-shaped and turbostratic carbon nanopores of different sizes). The predicted absolute methane isotherm, total pore volume of 0.22 cm3 g 1, enthalpy of methane adsorption of 17.5-18.6 kJ mol 1 on Shirasagi CMS 3K-161 at 298 K are in good agreement with existing experimental and theoretical data. Applying TCPM, we model the equilibrium and kinetic separation of hydrogen and methane mixtures adsorbed in CMS turbostratic carbon nanopores at infinite dilution and 194.7, 293.2, 313.2, 423.2, and 573.2 K.