【摘要】 本研究开发了二乙烯三胺（diethylenetriamine,DETA）与N-甲基二乙醇胺（N-methyldiethanolamine,MDEA）复配吸收体系.通过自主搭建的稳态平面CO₂恒压吸收实验平台，系统研究了总胺浓度3 mol/L下胺液配比对CO₂吸收性能的影响，并考察了不同CO₂吸收量下溶液黏度和pH值的变化趋势.采用Gaussian 16程序在B3LYP/6-31+G（d）水平下，对反应过程中分子的几何构型进行优化，并结合¹³C NMR分析以揭示DETA-MDEA复配溶液吸收CO₂的反应路径.实验结果表明：总胺浓度为3 mol/L、DETA∶MDEA为2∶6时，复配溶液展现出最优吸收性能，其CO₂平均吸收速率较单一MDEA、DETA溶液分别提升102%、24%，且黏度与pH值相对稳定.本研究为开发高效低耗的胺法CO₂捕集技术提供了理论依据与配方优化方案.更多还原

【Abstract】 This study developed a blended absorbent system utilizing both diethylenetriamine（DETA）and Nmethyldiethanolamine（MDEA）. On a custom-built steady-state planar constant-pressure CO₂ absorption platform,the impact of amine ratio on CO₂ absorption performance at a fixed total amine concentration of 3 mol/L was investigated systematically. Variations in solution viscosity and pH under different CO₂ loadings were also examined. Reaction pathways were elucidated through geometric optimization of molecular structures using Gaussian 16 at the B3LYP/6-31+G（d）level,complemented by ¹³C NMR analysis. Results demonstrate that the optimal blend（total amine 3 mol/L,DETA∶MDEA=2∶6）exhibits superior absorption performance. CO₂ absorption rates increase by 102% and 24% compared to single MDEA and DETA solutions,respectively,while maintaining favorable viscosity and p H stability. This research provides theoretical foundations and formulation optimization strategies for developing energy-efficient amine-based CO₂ capture technologies.更多还原