Potassium carbonate-based ternary transition temperature mixture (deep eutectic analogues) for CO₂ absorption: Characterizations and DFT analysis

Abstract

•Addition of hindered amine increased thermal stability and viscosity of TTTM.

•Addition of hindered amine improved the CO₂ absorption performance of TTTM.

•Good the CO₂ absorption of recycled solvents after two regenerations.

•Important role of amine group in CO₂ absorption of TTTM confirmed by DFT analysis.

Is it possible to improve CO₂ solubility in potassium carbonate (K₂CO₃)-based transition temperature mixtures (TTMs)? To assess this possibility, a ternary transition-temperature mixture (TTTM) was prepared by using a hindered amine, 2-amino-2-methyl-1,3-propanediol (AMPD). Fourier transform infrared spectroscopy (FT-IR) was employed to detect the functional groups including hydroxyl, amine, carbonate ion, and aliphatic functional groups in the prepared solvents. From thermogravimetric analysis (TGA), it was found that the addition of AMPD to the binary mixture can increase the thermal stability of TTTM. The viscosity findings showed that TTTM has a higher viscosity than TTM while their difference was decreased by increasing temperature. In addition, Eyring’s absolute rate theory was used to compute the activation parameters (ΔG*, ΔH*, and ΔS*). The CO₂ solubility in liquids was measured at a temperature of 303.15 K and pressures up to 1.8 MPa. The results disclosed that the CO₂ solubility of TTTM was improved by the addition of AMPD. At the pressure of about 1.8 MPa, the CO₂ mole fractions of TTM and TTTM were 0.1697 and 0.2022, respectively. To confirm the experimental data, density functional theory (DFT) was employed. From the DFT analysis, it was found that the TTTM+ CO₂ system has higher interaction energy (|ΔE |) than the TTM+ CO₂ system indicating the higher CO₂ affinity of the former system. This study might help scientists to better understand and to improve CO₂ solubility in these types of solvents by choosing a suitable amine as HBD and finding the best combination of HBA and HBD.

Graphical abstract

Keywords

Ternary transition-temperature mixture / FT-IR and thermal stability analysis / Viscosity and correlation study / Eyring’s absolute rate theory / CO ₂ solubility / Density functional theory (DFT).

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