Modeling CO2 solubility in imidazolium-based ionic liquids with extended PC-SAFT equation of state

被引：0
作者：
Pang, Yiwen [1 ]
Ding, Zhongwei [1 ]
机构：
[1] Beijing Univ Chem Technol, Dept Chem Engn, Beijing, Peoples R China
来源：
SEPARATION AND PURIFICATION TECHNOLOGY | 2025年 / 360卷
关键词：
Carbon dioxide; Ionic liquid; cQC-PC-SAFT; cQC-PC-SAFT-MSA; PRESSURE PHASE-BEHAVIOR; CARBON-DIOXIDE SOLUBILITY; PERTURBED-CHAIN SAFT; GAS SOLUBILITY; ASSOCIATING MOLECULES; ELECTROLYTE-SOLUTIONS; TEMPERATURE; ABSORPTION; FLUID; RANGE;
D O I：
10.1016/j.seppur.2024.130983
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
This study models the interchange energy in Guggenheim's lattice fluid theory for application in PC-SAFT, namely cQC-PC-SAFT, to predict the CO2 solubility in imidazolium-based ionic liquids. cQC-PC-SAFT-MSA incorporates the charge interactions within the ionic liquid and the charging-discharging effect, adding the Mean Spherical Approximation (MSA) term and the Born term to the basis of cQC-PC-SAFT. Furthermore, three optimization schemes for binary parameters were tested for cQC-PC-SAFT-MSA. By calculating the CO2 solubility in ten imidazolium-based ionic liquids, the results show the predicted CO2 solubility in ionic liquids by both cQC-PC-SAFT and cQC-PC-SAFT-MSA shows significant improvement compared to PC-SAFT with k(iJ) = 0. Moreover, with the optimization of binary parameters, cQC-PC-SAFT-MSA provides an accurate prediction for the CO2 solubility in ionic liquids at pressures below 6000 kPa.
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页数：12
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