Towards design of phase separation solvent for CO2 capture using COSMO-SAC model

Ying Chieh Hung, Chieh Ming Hsieh, Hiroshi Machida, Shiang Tai Lin, Yusuke Shimoyama

研究成果: 雜誌貢獻期刊論文同行評審

3 引文 斯高帕斯(Scopus)

摘要

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

原文???core.languages.en_GB???
文章編號116229
期刊Journal of Molecular Liquids
336
DOIs
出版狀態已出版 - 15 8月 2021

指紋

深入研究「Towards design of phase separation solvent for CO2 capture using COSMO-SAC model」主題。共同形成了獨特的指紋。

引用此