Abstract

AbstractThe molecular simulation method was used to investigate the adsorption behaviors of methane on illite. The effects of several factors on methane adsorption, free gas amounts, and the proportions of absorbed gas in the illite nanopores, including the pore size, temperature, and water content, are discussed. The results obtained show that methane adsorption in illite nanopores is due mainly to van der Waals adsorption. With an increase in the pressure or of the pore size, the free gas amounts of methane increase, whereas the free gas amounts decrease with increasing temperature or water content. With increasing pressures or decreasing pore sizes, the methane adsorption capacity of the illite pores increases. When the pressure or pore size increases, the proportion of the adsorbed gas in the pores decreases. As the temperature increases, the methane adsorption capacity of the illite pores decreases, and the proportion of adsorbed gas in the illite pores decreases slightly. The adsorbed phase density decreases with increasing pore size and temperature, whereas the adsorbed phase density increases with increasing pressure. The electrostatic forces and hydrogen bonds have a positive effect on water adsorption in the illite nanopores, while the van der Waals forces have the opposite effect, which causes the water molecules in the illite pores to exist in the form of aggregates. The water molecules occupy the areas near the pore walls in a directional manner and occupy the adsorption space and the adsorption sites of methane, resulting in a decrease in the methane adsorption capacity and a slight reduction in the proportion of adsorbed gas.

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