In this study, modeling of hydrogen, nitrogen, carbon monoxide, methane and carbon dioxide sorption on UTSA-16 framework extrudates in the pressure swing adsorption process was carried out. The pure gas adsorption of these gases at the pressure range (0 to 80) bars at (298, 313, and 338) K have also been measured in a fixed bed. Langmuir, Toth, Sips, UNILAN, Virial and Dubinin-Astakhov adsorpti...

Tetrafluoromethane, CF(4), is a powerful greenhouse gas, and the possibility of storing it in microporous carbon has been widely studied. In this paper we show, for the first time, that the results of molecular simulations can be very helpful in the study of CF(4) adsorption. Moreover, experimental data fit to the results collected from simulations. We explain the meaning of the empirical param...

Using grand canonical Monte Carlo simulation we show, for the first time, the influence of the carbon porosity and surface oxidation on the parameters of the Dubinin-Astakhov (DA) adsorption isotherm equation. We conclude that upon carbon surface oxidation, the adsorption decreases for all carbons studied. Moreover, the parameters of the DA model depend on the number of surface oxygen groups. T...

Simple isotherm models can fit microporous adsorption yet the molecular interactions underlying successful fitting have often remained obscure. Here we demonstrate how semi-empirical model data be mined to reveal reality of adsorbate-adsorbate interactions. This was made possible by fluctuation theory, a rigorous theory based only on principles statistical thermodynamics. For carbons, quantifie...

The present paper examines the adsorption of water by microporous carbons containing various amounts of surface oxygen an a smaller proportion of basic centres. The modelling of water adsorption for 293 and 310 K, using variable pore size distribution (PSD), confirms that the overall type IV isotherm is the sum of a type I isotherm associated with the specific interactions, and a typ V isotherm...