Effects of different alkyl chain lengths on excess properties of CO2-1-Butyl-1-methyl-pyrrolidinebis(trifluoromethanesulfonyl)imide, CO2-1-hexyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide, CO2-1-octyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide systems

Abstract

The study investigates the solubility of carbon dioxide (CO₂) in three ionic liquids [BMP][Tf₂N] (1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide), [HMP][Tf₂N] (1-hexyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide) and [OMP][Tf₂N] (1-octyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide). The research is conducted over a temperature range of 303.15 to 363.15 K. The phase equilibria of the binary systems are predicted using the Peng-Robinson (PR) equation of state, the Wilson (WS) mixing rule and the UNIFAC activity coefficient model. The interaction parameter k_ij is regressed from the vapor-liquid equilibrium (VLE) experimental data. The study also calculates the excess Gibbs free energy (G^E), excess enthalpy (H^E), and excess entropy (S^E) for these systems. The research results indicate that the length of the alkyl chain in the cation has a significant effect on the excess properties of the CO₂-ionic liquid systems. As the alkyl chain length increases, the excess Gibbs free energy and excess enthalpy decrease, while the excess entropy increases. The CO₂-[OMP][Tf₂N] system exhibits stronger interactions between CO₂ and the ionic liquid, indicating a higher capacity for CO₂ absorption. The study results are helpful for optimization of CO₂ capture processes and the broader comprehension of fluid phase equilibria in complex systems.