PC-SAFT modeling of CO2 solubilities in hydrophobic deep eutectic solvents

被引：67

作者：

Dietz, Carin H. J. T. ^{[1
]}

van Osch, Dannie J. G. P. ^{[2
,3
]}

Kroon, Maaike C. ^{[4
]}

Sadowski, Gabriele ^{[5
]}

Annaland, Martin van Sint ^{[1
]}

Gallucci, Fausto ^{[1
]}

Zubeir, Lawien E. ^{[6
]}

Held, Christoph ^{[5
]}

机构：

[1] Eindhoven Univ Technol, Dept Chem Engn & Chem, Chem Proc Intensificat, POB 513, NL-5600 MB Eindhoven, Netherlands

[2] Eindhoven Univ Technol, Dept Chem Engn & Chem, Lab Phys Chem, POB 513, NL-5600 MB Eindhoven, Netherlands

[3] Eindhoven Univ Technol, Inst Complex Mol Syst, POB 513, NL-5600 MB Eindhoven, Netherlands

[4] Khalifa Univ Sci & Technol, Petr Inst, Chem Engn Dept, POB 2533, Abu Dhabi, U Arab Emirates

[5] TU Dortmund Univ, Dept Biochem & Chem Engn, Emil Figge Str 70, D-44227 Dortmund, Germany

[6] Eindhoven Univ Technol, Dept Chem Engn & Chem, Separat Technol Grp, POB 513, NL-5600 MB Eindhoven, Netherlands

来源：

FLUID PHASE EQUILIBRIA | 2017年 / 448卷

基金：

欧盟地平线“2020”;

关键词：

Hydrophobic deep eutectic solvents; CO2; solubilities; PC-SAFT; IONIC LIQUIDS;

D O I：

10.1016/j.fluid.2017.03.028

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The PC-SAFT 'pseudo-pure' approach was used for the modeling of CO2 solubilities in various hydrophobic deep eutectic solvents (DESs) for the first time. Only liquid density data were used to obtain the segment number, the temperature-independent segment diameter and the dispersion-energy parameter, as water activities cannot be obtained for hydrophobic substances. VLE data were successfully predicted without the need for any adjustable binary interaction k(ij). Thus, solubilities of CO2 in hydrophobic DESs could be approximated with the PC-SAFT model using parameters fitted to liquid densities only. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：94 / 98

页数：5

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