Gas Uptake in Solvents Confined in Mesopores: Adsorption versus Enhanced Solubility

Three molecular mechanisms for gas uptake in a solvent confined in mesopores are identified. On the one hand, CO2 uptake is an adsorption-driven phenomenon that arises from the strong interaction between the gas molecules and the pore surface. On the other hand, H2 uptake is a confinement-induced enhanced solubility in which solubility is favored in the regions of low solvent density formed by the layering of the solvent. In partially filled pores, adsorption at the gas/liquid solvent interface is a third mechanism that leads to large gas uptakes. This study, which sheds light on previously reported yet unclear oversolubility in pores, provides a guide to design hybrid porous catalysts consisting of a solvent confined in a porous solid.