Towards design of phase separation solvent for CO2 capture using COSMO-SAC model
نویسندگان
چکیده
There is a growing interest in developing CO2 capture processes based on phase separation solvents due to its much lower energy consumption compared the reference amine process using monoethanolamine (MEA). In this work, predictive COSMO-SAC activity coefficient model was applied describe behavior for solvent composed of + water glycol ether. From calculated ternary liquid-liquid equilibrium (LLE) diagram, mixtures fourteen selected amines ether can be classified into miscible- or immiscible-type solvents. The work presented here indicates that having comparable affinity and generally result smaller two-phase region form type I near amine-lean region. strong show larger II behavior. Further analysis shows KOW σ-profile good indicators ether, which key factor determine investigated mixtures. feed composition operating temperature should judged by interaction between molecules. This study demonstrates useful tool exploiting potential with limited available experimental data.
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ژورنال
عنوان ژورنال: Journal of Molecular Liquids
سال: 2021
ISSN: ['0167-7322', '1873-3166']
DOI: https://doi.org/10.1016/j.molliq.2021.116229