Adsorption behavior of helium in quartz slit by molecular simulation

Abstract Due to the multiple influences of unique physicochemical properties of helium, petrographic characteristics and temperature and pressure conditions, little is known about the helium adsorption behaviors in minerals and rocks at geological conditions. Based on the grand canonical Monte Carlo simulations, this study revealed the adsorption characteristics of pure helium and the competitive adsorption of binary mixtures with different proportions of methane and helium under geological temperature and pressure conditions in quartz slit model. Molecular simulation of pure helium shows that physical adsorption of helium exists in mineral surfaces, which indicates a preservation mechanism of helium in helium source rocks. Binary mixtures simulations indicate that the adsorption capacity of methane in quartz is stronger than that of helium, and the competitive adsorption of methane increases with decreasing burial depth. This means that during the upwards migration processes of natural gas, the adsorbed helium that distributed in the migration pathway will be gradually displaced by methane, then concentrate in the hydrocarbon gases and subsequently accumulate together in favorable traps to form helium-rich natural gas reservoirs. Our results provide a molecular-scale insight into the preservation and accumulation of helium in helium source rocks and are significant for assessing the helium resource potential.