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<p>This study aims to develop and characterize a novel mixed system composed of sodium phenoxide (NaOPh) and a deep eutectic solvent (DES) formed from 1-ethyl-3-methylimidazole chloride ([Emim]Cl) and ethylene glycol (EG), in order to address the phase separation issue commonly encountered in aqueous phenoxide solutions during CO₂ absorption—caused by the generation of phenol. The physicochemical properties, CO<sub>2</sub> absorption performance and absorption mechanism of the NaOPh/DES mixed system were investigated. The results indicate that the density, viscosity, and CO<sub>2</sub> absorption capacity of the studied NaOPh/DES mixed systems increase with NaOPh content. The NaOPh1.0/DES system exhibits the best absorption performance of these systems, with a CO<sub>2</sub> absorption capacity of 2.10&#xa0;mol‧kg<sup>−1</sup> at 313.15&#xa0;K and 0.1&#xa0;MPa. DFT calculations reveal that the Na<sup>+</sup> from NaOPh, the O–H group from EG, and the Cl<sup>−</sup> from [Emim] Cl can form a stable four-membered ring. This weakens the electrostatic interaction between Na<sup>+</sup> and [PhO]<sup>−</sup>, promoting the dissociation of the NaOPh and facilitating the chemical reaction between the “free” [PhO]⁻ and CO<sub>2</sub> to form carbonates. This mechanism is confirmed by FT-IR and <sup>13</sup>C NMR spectra. Using [Emim]Cl–EG DES as a solvent to dissolve NaOPh leverages the reactivity of [PhO]<sup>−</sup> with CO<sub>2</sub> for efficient absorption, while effectively avoiding phase separation. This expands the application of phenoxide-based systems in CO₂ capture.</p>

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Physicochemical Properties and CO2 Absorption of the Mixed System of Sodium Phenoxide and [Emim]Cl–EG Deep Eutectic Solvents

  • 期刊论文

  • 发表日期：

    2026年5月15日

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  • Saiyuan Xu,
  • Yujun Guo,
  • Yibin Wu,
  • Bin Chen,
  • Yingjie Xu

摘要

This study aims to develop and characterize a novel mixed system composed of sodium phenoxide (NaOPh) and a deep eutectic solvent (DES) formed from 1-ethyl-3-methylimidazole chloride ([Emim]Cl) and ethylene glycol (EG), in order to address the phase separation issue commonly encountered in aqueous phenoxide solutions during CO₂ absorption—caused by the generation of phenol. The physicochemical properties, CO2 absorption performance and absorption mechanism of the NaOPh/DES mixed system were investigated. The results indicate that the density, viscosity, and CO2 absorption capacity of the studied NaOPh/DES mixed systems increase with NaOPh content. The NaOPh1.0/DES system exhibits the best absorption performance of these systems, with a CO2 absorption capacity of 2.10 mol‧kg−1 at 313.15 K and 0.1 MPa. DFT calculations reveal that the Na+ from NaOPh, the O–H group from EG, and the Cl− from [Emim] Cl can form a stable four-membered ring. This weakens the electrostatic interaction between Na+ and [PhO]−, promoting the dissociation of the NaOPh and facilitating the chemical reaction between the “free” [PhO]⁻ and CO2 to form carbonates. This mechanism is confirmed by FT-IR and 13C NMR spectra. Using [Emim]Cl–EG DES as a solvent to dissolve NaOPh leverages the reactivity of [PhO]− with CO2 for efficient absorption, while effectively avoiding phase separation. This expands the application of phenoxide-based systems in CO₂ capture.