PMID- 37352169 OWN - NLM STAT- MEDLINE DCOM- 20230626 LR - 20231120 IS - 1932-6203 (Electronic) IS - 1932-6203 (Linking) VI - 18 IP - 6 DP - 2023 TI - Experimental investigation of novel ternary amine-based deep eutectic solvents for CO2 capture. PG - e0286960 LID - 10.1371/journal.pone.0286960 [doi] LID - e0286960 AB - 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 degrees 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. CI - Copyright: (c) 2023 Abdrabou et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. FAU - Abdrabou, Hossam K AU - Abdrabou HK AD - Department of Chemical Engineering, Khalifa University, Abu Dhabi, United Arab Emirates. AD - Research and Innovation Center on CO2 and H2 (RICH), Khalifa University, Abu Dhabi, United Arab Emirates. FAU - AlNashef, Inas AU - AlNashef I AD - Department of Chemical Engineering, Khalifa University, Abu Dhabi, United Arab Emirates. AD - Research and Innovation Center on CO2 and H2 (RICH), Khalifa University, Abu Dhabi, United Arab Emirates. FAU - Abu Zahra, Mohammad AU - Abu Zahra M AD - Department of Chemical Engineering, Khalifa University, Abu Dhabi, United Arab Emirates. AD - Research and Innovation Center on CO2 and H2 (RICH), Khalifa University, Abu Dhabi, United Arab Emirates. FAU - Mokraoui, Salim AU - Mokraoui S AD - Chemical Engineering Department, College of Engineering, King Saud University, Riyadh, Saudi Arabia. FAU - Ali, Emad AU - Ali E AD - Chemical Engineering Department, College of Engineering, King Saud University, Riyadh, Saudi Arabia. FAU - Hadj-Kali, Mohamed K AU - Hadj-Kali MK AUID- ORCID: 0000-0002-1374-9825 AD - Chemical Engineering Department, College of Engineering, King Saud University, Riyadh, Saudi Arabia. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20230623 PL - United States TA - PLoS One JT - PloS one JID - 101285081 RN - 142M471B3J (Carbon Dioxide) RN - 0 (Deep Eutectic Solvents) RN - 0 (Amines) RN - 0 (Solvents) RN - 059QF0KO0R (Water) SB - IM MH - *Carbon Dioxide MH - *Deep Eutectic Solvents MH - Amines MH - Solvents/chemistry MH - Water PMC - PMC10289352 COIS- The authors have declared that no competing interests exist. EDAT- 2023/06/23 19:11 MHDA- 2023/06/26 06:41 PMCR- 2023/06/23 CRDT- 2023/06/23 13:33 PHST- 2023/02/07 00:00 [received] PHST- 2023/05/25 00:00 [accepted] PHST- 2023/06/26 06:41 [medline] PHST- 2023/06/23 19:11 [pubmed] PHST- 2023/06/23 13:33 [entrez] PHST- 2023/06/23 00:00 [pmc-release] AID - PONE-D-23-03545 [pii] AID - 10.1371/journal.pone.0286960 [doi] PST - epublish SO - PLoS One. 2023 Jun 23;18(6):e0286960. doi: 10.1371/journal.pone.0286960. eCollection 2023.