Department of Chemical Engineering, Faculty of Engineering, University of Isfahan, 81746-73441, Isfahan, Iran.
Department of Chemical Engineering, Faculty of Engineering, University of Isfahan, 81746-73441, Isfahan, Iran.
Chemosphere. 2024 Oct;366:143512. doi: 10.1016/j.chemosphere.2024.143512. Epub 2024 Oct 9.
Sulfur dioxide (SO), produced mainly from the combustion of coal, is the most important cause of acidic rain, skin diseases, and environmental issues. To overcome the environmental problems, SO must be captured on an industrial scale before it is released into the air. In chemical industries, organic solvents are used for partial absorption of SO. However, those organic solvents have negative environmental effects. Thus, proposing environmentally friendly and green solvents for SO absorption is vital for industries. Recently, increased attention has been paid to capturing SO using Deep Eutectic Solvents (DESs) as the most recently introduced category of green solvents. This study performed a comprehensive screening study on the investigation of the performance of various simple and complicated models for SO solubilities in a wide range of different nature DESs. For this purpose, the most updated and largest SO solubility data bank in DESs involving 976 data points for 63 different nature DESs over wide temperature and pressure ranges has been gathered from open literature. For model screening, for the physical absorption models, the performances of SRK and CPA as the simple cubic and complicated sophisticated equations of state, NRTL and UNIQUAC as the well-known activity coefficient models, and for the chemical absorption models, RETM were investigated and compared. For physical absorption models, coupling an equation of state with the UNIQUAC activity coefficient model i.e. CPA-UNIQUAC, SRK-UNIQUAC, and also using simple SRK-SRK models led to the best performances. Compared to all investigated models, RETM as the chemical absorption model showed the best performance with the AARD% value of 12.95. This shows the importance of considering the chemical absorption mechanism for SO absorption by DESs. Finally, general guidelines for using different modeling approaches were proposed to be considered by the researchers.
二氧化硫（SO）主要来自煤炭燃烧，是造成酸雨、皮肤病和环境问题的主要原因。为了克服环境问题，必须在 SO 排放到空气中之前在工业规模上进行捕获。在化学工业中，有机溶剂用于部分吸收 SO。然而，这些有机溶剂对环境有负面影响。因此，提出用于 SO 吸收的环保和绿色溶剂对于工业至关重要。最近，人们越来越关注使用深共晶溶剂（DESs）作为最新引入的绿色溶剂来捕获 SO。本研究对各种简单和复杂模型在广泛的不同性质的 DESs 中 SO 溶解度的性能进行了全面的筛选研究。为此，从公开文献中收集了最最新和最大的 SO 在 DESs 中溶解度数据库，涉及 976 个数据点，涉及 63 种不同性质的 DESs，涵盖了广泛的温度和压力范围。对于模型筛选，对于物理吸收模型，使用简单立方和复杂精密状态方程的 SRK 和 CPA、著名的活度系数模型 NRTL 和 UNIQUAC 以及化学吸收模型 RETM 研究和比较了性能。对于物理吸收模型，将状态方程与 UNIQUAC 活度系数模型耦合，即 CPA-UNIQUAC、SRK-UNIQUAC，以及简单的 SRK-SRK 模型，导致了最佳性能。与所有研究的模型相比，作为化学吸收模型的 RETM 表现最佳，AARD%值为 12.95。这表明考虑 DESs 吸收 SO 的化学吸收机制的重要性。最后，提出了使用不同建模方法的一般指南，供研究人员考虑。
