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.

引用

页数：12

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