Hung Y.-CHsieh C.-MMachida HSHIANG-TAI LINShimoyama Y.2022-11-162022-11-16202218761070https://www.scopus.com/inward/record.uri?eid=2-s2.0-85129731523&doi=10.1016%2fj.jtice.2022.104362&partnerID=40&md5=5d06f9eb4954fc9fee122c6f6d11a526https://scholars.lib.ntu.edu.tw/handle/123456789/625248Background: Phase separation solvents are proposed to replace conventional solvents for CO2 capture due to a significant reduction of absorbent regeneration heat. A predictive approach based on COSMO-SAC is developed to model the CO2 capture process using the phase separation solvent of 2-(ethylamino)ethanol (EAE) + water + diethylene glycol diethyl ether (DEGDEE). Methods: In this approach, liquid phase compositions, including CO2 solubility, are determined from vapor-liquid-liquid equilibrium calculation with a chemisorption reaction in both liquid phases. The behavior of phase separation after CO2 capture and CO2 solubility in both CO2-lean and CO2-rich phases at 313 and 353 K can be well described by the proposed approach. Significant findings: The overall root-mean-square-deviation (RMSD) in predicting compositions (128 data points) of all components in both liquid phases is 0.064, which is slightly better than a previous study on the accuracy of COSMO-SAC in LLE prediction (RMSD = 0.105). The phase separation behavior of solvent can be realized with the hydrophilic product upon CO2 absorption from the σ-profile analysis. The proposed framework is expected to be a useful tool for the development of a new phase separation solvent. © 2022 Taiwan Institute of Chemical EngineersCO2 capture; COSMO-SAC; Phase separation solvent; Vapor-liquid-liquid equilibrium[SDGs]SDG13Glycols; Liquids; Organic solvents; Phase equilibria; Phase separation; Solubility; % reductions; Capture process; CO2 capture; COSMO-SAC; Ethanol-water; Liquid Phase; Liquid phasis; Phase separation solvent; Root-mean-square deviations; Vapor-liquid-liquid equilibrium; Carbon dioxidejournal article10.1016/j.jtice.2022.1043622-s2.0-85129731523