Department of Chemical Engineering, Khalifa University, Abu Dhabi, United Arab Emirates.
Research and Innovation Center on CO2 and H2 (RICH), Khalifa University, Abu Dhabi, United Arab Emirates.
PLoS One. 2023 Jun 23;18(6):e0286960. doi: 10.1371/journal.pone.0286960. eCollection 2023.
This study investigates the effect of using water as a low-viscosity component in ternary amine-based deep eutectic solvents (DESs) on the physicochemical properties, thermal stability, and CO2 absorption capacity of the resulting DESs. It should be emphasized that water is a component of the ternary DES. The effect of water content in the DES, type of hydrogen bond acceptors (HBAs), hydrogen bond donors (HBDs), and HBA:HBD ratio on the above parameters was investigated. Moreover, the effect of temperature and pressure on the CO2 absorption capacity of DESs was predicted using the predictive model COSMO-RS. This model was also used to predict the CO2 solubility in the DESs and the results were compared with the experimental values. The results showed that the addition of small amounts of water, e.g., 5 and 10 wt% during preparation, can significantly decrease the viscosity of the resulting DESs, up to 25% at room temperature, while maintaining the high CO2 absorption capacity and high thermal stability. The ternary DESs based on MEA exhibited a high CO2 absorption capacity of 0.155-0.170 g CO2 / g DES. The ternary DESs were found to be thermally stable with a decomposition temperature of 125°C, which promotes the use of such solvents in post-combustion capture processes. Finally, COSMO-RS proved to be a suitable tool for qualitative prediction of CO2 solubility in DESs and demonstration of trends related to the effects of temperature, pressure, molar ratio, water content, HBD and HBA on CO2 solubility.
本研究考察了在三胺基基深共熔溶剂(DES)中使用水作为低粘度组分对所得 DES 的物理化学性质、热稳定性和 CO2 吸收能力的影响。需要强调的是,水是三元 DES 的组成部分。考察了 DES 中水含量、氢键受体(HBA)类型、氢键供体(HBD)和 HBA:HBD 比等因素对上述参数的影响。此外,还使用 COSMO-RS 预测模型预测了温度和压力对 DESs CO2 吸收能力的影响。该模型还用于预测 DESs 中 CO2 的溶解度,并将结果与实验值进行比较。结果表明,在制备过程中添加少量水(例如 5wt%和 10wt%)可显著降低所得 DES 的粘度,在室温下可降低 25%,同时保持高 CO2 吸收能力和高热稳定性。MEA 基三元 DES 具有高的 CO2 吸收能力,为 0.155-0.170gCO2/gDES。发现三元 DES 热稳定性好,分解温度为 125°C,这促进了此类溶剂在后燃烧捕获过程中的应用。最后,COSMO-RS 被证明是定性预测 DES 中 CO2 溶解度的合适工具,并展示了与温度、压力、摩尔比、水含量、HBD 和 HBA 对 CO2 溶解度的影响相关的趋势。