(33e) Adsorption of Gases for Storage and Separation Purposes

In the field of gas storage and separation by adsorption the evaluation of equilibrium and kinetics data is essential for the selection of more efficient materials. In this study, adsorption experimental data of light hydrocarbons in several porous materials is presented along with an experimental investigation of charge and discharge cycles of natural gas in a prototype storage vessel filled with activated carbon demonstrating the effect of the gas composition on the adsorption capacity. Also, results on adsorption of CO₂ on nitrogen-enriched activated carbon and zeolite are presented along with multicomponent adsorption measurements of CO₂-rich mixtures on activated carbon. In order to provide further insight for the experimental measurements, molecular simulation is used for support in adsorbents characterization, and for helping to perform multicomponent adsorption calculations. For carbon materials, heterogeneity studies were applied using the triangular pore model and the etched surface model. For natural gas storage in MOF materials a new site environment was proposed and applied to PCN-14 structure. The simulation results will be presented and discussed along with experimental adsorption results.