Carbone capture by absorption–regeneration technology is a well-known process. However, the development and utilization of new solvents remains crucial to lower its energy consumption. Therefore, an accurate thermodynamic modeling is essential for the process simulation and optimization. This work focuses on the thermodynamic modeling of CO₂ absorption in aqueous solutions of N,N-diethylethanolamine (DEEA), N-methyl-1,3-propanediamine (MAPA) and their mixtures using electrolyte NRTL model. A novel thermodynamic modeling of DEEA-H₂O−CO₂, MAPA-H₂O−CO₂ and DEEA-MAPA-H₂O−CO₂ systems was developed. The modeling was carried out by considering the pure vapor pressures, excess enthalpies, dielectric constants, physical solubilities of CO₂, partial and total pressures experimental data. The predicted and correlated data such as vapor–liquid equilibrium (VLE) and heat of CO₂ absorption were compared favorably to experimental data from the literature. Liquid–liquid phase separation of a specific mixture of these two amines was also highlighted. Subsequently, the developed model could be used for further simulations at large scale considering that successful validation was performed at pilot scale.

通过吸收再生技术捕获碳是一个众所周知的过程。但是，新溶剂的开发和利用对于降低其能耗仍然至关重要。因此，准确的热力学建模对于过程仿真和优化至关重要。这项工作的重点是使用电解质NRTL模型对N，N-二乙基乙醇胺（DEEA），N-甲基-1,3-丙二胺（MAPA）及其混合物的水溶液中CO ₂吸收的热力学建模。的DEEA-H的新型热力学模型₂ O-CO ₂，MAPA-H ₂ O-CO ₂和DEEA-MAPA-H ₂ O-CO ₂系统已开发。通过考虑纯蒸气压，过量焓，介电常数，CO _2的物理溶解度，分压和总压实验数据进行建模。预测的和相关的数据，例如气液平衡（VLE）和吸收CO _2的热量，与文献中的实验数据进行了比较。还重点介绍了这两种胺的特定混合物的液-液相分离。随后，考虑到在试点规模上进行了成功的验证，开发的模型可以用于大规模的进一步仿真。