期刊
CHEMICAL ENGINEERING JOURNAL
卷 428, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.cej.2021.131241
关键词
Chemical absorption; Biphasic solvent; Phase separation behavior; Quantum calculation
资金
- National Natural Science Foundation of China [22022610, 21876157]
- Central Government Guided Local Science and Technology Development Fund [2021ZY1022]
- Zhejiang Provincial Natural Science Foundation of China [LR19E080001]
- Program for Changjiang Scholars and Innovative Research Team in University [IRT_17R96]
- Zhejiang University of Technology Initial Research Foundation [2017129000729]
This study investigated the relationship between the physical properties of tertiary amines and the phase separation behavior and absorption rate of biphasic solvents through quantum calculation and experimental results. The high electronegativity of the tertiary amine N atom leads to a fast phase separation rate and absorption rate, while increasing the polarity of the N atom can stabilize absorption rate. Overall, this relationship could enhance the understanding for screening and practical application of biphasic solvents.
Biphasic solvent has been widely studied for CO2 capture due to its excellent energy-saving potentiality. However, its complex composition makes the prediction of main performances, like phase separation behavior or absorption rate, become obscure and difficult. This work investigated the relationship between the physical properties of tertiary amines and proton transfer process, phase separation behavior and absorption rate of biphasic solvents via quantum calculation and experimental results. The high electronegativity of tertiary amine N atom makes the biphasic solvent exhibit the fast phase separation rate and absorption rate, and maximum phase separation rate can reach 0.056 min-1. Furthermore, the increase of N atom polarity can delay the appearance of phase separation peak and stabilize the absorption rate during the counter-current absorption process. We believe that the relationship revealed by this work can deepen the understanding for screening and practical applying of biphasic solvents.
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