Using the high pressure methane isotherm for determination of pore size distribution of carbon adsorbents

NaOH activation of anthracites: effect of temperature on pore textures and methane storage ability

“…Quantitative data, derived from numerical simulations [15,16], are thus presented in Fig. 2 (after [17]). It may be seen that the ideal situation for which the density of adsorbed methane is the highest at 3.5 MPa corresponds to micropores of widths H % 0.8 nm.…”

“…Calculated density of the methane adsorbed in micropores of widths H, as a function of the equilibrium pressure (after[17]). material) and as volume capacities (V/V, in units of STP volumes of gas stored by volume of the storage vessel).…”

The Structure of Adsorbed CO2 in Slitlike Micropores at Low and High Temperature and the Resulting Micropore Size Distribution Based on GCMC Simulations

“…Spherical nitrogen models have been employed in this context to develop practical methods for the evaluation of the pore structure over a wide range of pore sizes (7)(8)(9). Applications of DFT to the determination of PSDs include also the works of Olivier et al (10), Neimark et al (11), and Sosin and Quinn (12).…”

GCMC Simulations of Gas Adsorption in Carbon Pore Structures

“…However, the equation fails to apply in micropores, mainly because, a "real" adsorbate phase of molecular dimensions cannot be defined. Molecular models, as for instance the Density Functional Theory (DFT) (Seaton et al, 1989;Lastoskie et al, 1993;Aukett et al, 1992;Ravikovitch et al, 1995;Sosin & Quinn 1995;Scaife et al, 2000;Jagiello & Thommes 2004;Nguyen & Bhatia 2004) and the Monte Carlo (MC) technique (Nilson et al, 2003;Do & Do 2005;Nguyen et al, 2005), can offer a more comprehensive representation of the pore filling process. DFT is computationally less demanding and can provide an accurate description when dealing with simple fluids (spherical molecules) and simple geometries.…”