Monte Carlo Simulations of Pure and Mixed Gas Solubilities of CO2 and CH4 in Nonideal Ionic Liquid–Ionic Liquid Mixtures

The knowledge of mixed gas solubility in ionic liquids at high pressures, which becomes relevant in applications such as tertiary oil recovery and landfill gas utilization, is critical for the design of gas separation technologies. In this study, we examine ionic liquid mixtures for tuning the solubility of carbon dioxide (CO2) and methane (CH4). Using Gibbs ensemble Monte Carlo simulations, absorption isotherms of pure CO2 and CH4 are computed in the binary ionic liquid mixtures containing the common cation 1-n-butyl-3-methylimidazolium [C4mim]+ and the anions chloride Cl– and bis(trifluoromethanesulfonyl)imide [NTf2]− using five molar compositions at 353 K and the pressures ranging from 1 to 100 bar. Additionally, mixture gas solubilities of CO2 and CH4 with the starting gas phase mole ratios of 5:95 and 15:85 at a total pressure of 100 bar are determined and compared with the ideal predictions obtained from the solubilities calculated in pure ionic liquids. Results show that the mixture solubilities de...

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