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<p>The development of energy-efficient absorbents for post-combustion CO₂ capture is essential for carbon neutrality. Conventional amines such as monoethanolamine (MEA) show high CO₂ reactivity but suffer from high regeneration energy due to stable carbamate formation. In this study, we evaluated 2,2´-(ethylenedioxy) bis(ethylamine) (EDBEA), an ether-containing diamine, and compared its absorption performance with MEA, 3-(methylamino)propylamine (MAPA), 2-amino-2-methyl-1-propanol (AMP), and digylcolamine (DGA). Bubble-cell experiments revealed that EDBEA exhibited slightly lower CO₂ absorption capacity than MAPA, but a higher cyclic capacity, indicating enhanced regenerability. <sup>13</sup>C NMR and relative Gibbs free energy calculations confirmed that the carbamate formed by EDBEA was less stable than those of MEA and MAPA. Density functional theory (DFT) analyses showed that the ether group in EDBEA reduced electron density near nitrogen atom, weakened hydrogen bonding, and favored van der Waals interactions over extensive hydrogen-bond networks, thereby lowering the regeneration energy requirement. These results demonstrate that incorporating an ether group effectively modulates the electronic environment of amines, leading to reduced carbamate stability and improved solvent regenerability.</p>

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Effect of Ether Group in the Diamine Structure on Carbamate Stability and Regeneration: Experimental and DFT Study of 2,2´-(Ethylenedioxy)bis(ethylamine)

  • 期刊论文

  • 发表日期：

    2025年12月23日

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  • Hyun Sub Kim,
  • Yeon Ki Hong

摘要

The development of energy-efficient absorbents for post-combustion CO₂ capture is essential for carbon neutrality. Conventional amines such as monoethanolamine (MEA) show high CO₂ reactivity but suffer from high regeneration energy due to stable carbamate formation. In this study, we evaluated 2,2´-(ethylenedioxy) bis(ethylamine) (EDBEA), an ether-containing diamine, and compared its absorption performance with MEA, 3-(methylamino)propylamine (MAPA), 2-amino-2-methyl-1-propanol (AMP), and digylcolamine (DGA). Bubble-cell experiments revealed that EDBEA exhibited slightly lower CO₂ absorption capacity than MAPA, but a higher cyclic capacity, indicating enhanced regenerability. 13C NMR and relative Gibbs free energy calculations confirmed that the carbamate formed by EDBEA was less stable than those of MEA and MAPA. Density functional theory (DFT) analyses showed that the ether group in EDBEA reduced electron density near nitrogen atom, weakened hydrogen bonding, and favored van der Waals interactions over extensive hydrogen-bond networks, thereby lowering the regeneration energy requirement. These results demonstrate that incorporating an ether group effectively modulates the electronic environment of amines, leading to reduced carbamate stability and improved solvent regenerability.