Thermodynamics analysis of adsorption of CH۴ , CO۲ and N۲ on CNTs bundles supported with ILs by GCMC

The thermodynamic characteristics of CH۴, CO۲, and N۲, such as Gibbs free energy change (ΔG), surface potential (Ω), and entropy change (ΔS), were examined in depth in this work. Increasing the pressure causes the increase in ΔG and Ω of CH۴, CO۲, and N۲. CO۲ adsorption on CNT-supported ILs (ILs-CNTs) is more favorable and spontaneous, as evidenced by its greater ΔG and Ω than CH۴ and N۲. CO۲ molecules have a substantially higher ΔS than CH۴ and N۲ molecules, indicating that they form a much more stable rearrangement.

کلیدواژه ها:

Molecular simulation ، Adsorption ، Thermodynamics ، CNTs ، Ionic liquids