The investigation of the reaction mechanism of CO2 in HMDA/DEEA and EAE/1DMA2P aqueous solution systems

IF 7.6 Q1 ENGINEERING, CHEMICAL

Green Chemical Engineering Pub Date : 2025-06-16 DOI:10.1016/j.gce.2025.06.003

Can Lv, Yimin Deng, Dongfang Zhao, Miyi Li, Helei Liu

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Abstract

Revealing the reaction mechanism of CO₂ absorption by mixed amine solutions can provide theoretical guidance for establishing complex kinetic models. This study investigated the CO₂ capture mechanisms of blended amine systems, specifically 1,6-hexamethyl diamine (HMDA)-N,N-diethylethanolamine (DEEA) and 2-(ethylamino)ethanol (EAE)-1-dimethylamino-2-propanol (1DMA2P), utilizing ¹³C nuclear magnetic resonance (NMR) spectroscopy and quantum mechanical calculations. The ¹³C NMR analysis identified the formation and conversion of species during CO₂ absorption, while quantum calculations elucidated the reaction energetics. The results indicate that tertiary amines (DEEA or 1DMA2P) facilitate CO₂ absorption by promoting the desorption of protonated primary amines (HMDA or EAE), thereby enhancing the absorption rate. This research provides insights into the role of tertiary amines in blended systems, guiding the development of efficient and low-energy amine solvents for CO₂ capture.

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CO2在HMDA/DEEA和EAE/1DMA2P水溶液体系中的反应机理研究

揭示混合胺溶液吸收CO2的反应机理，可为建立复杂动力学模型提供理论指导。本研究利用13C核磁共振（NMR）和量子力学计算研究了混合胺体系，特别是1,6-六甲二胺(HMDA)- n， n -二乙基乙醇胺（DEEA）和2-（乙胺）乙醇(EAE)-1-二甲氨基-2-丙醇（1DMA2P）的CO2捕获机制。13C核磁共振分析确定了CO2吸收过程中物质的形成和转化，量子计算阐明了反应的能量学。结果表明，叔胺（DEEA或1DMA2P）通过促进质子化伯胺（HMDA或EAE）的解吸来促进CO2的吸收，从而提高吸收率。本研究提供了对叔胺在混合体系中的作用的见解，指导了用于CO2捕获的高效和低能量胺溶剂的开发。

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