Modelling of Mean Ionic Activity and Osmotic Coefficients in Aqueous Solutions of Symmetrical Tetra alkyl Ammonium Halides

被引：0

作者：

Mao, Yufei ^{[1
]}

Cao, Fei ^{[1
]}

Bai, Jianbo ^{[1
]}

Sun, Li ^{[1
]}

Liang, Jierong ^{[2
]}

机构：

[1] Hohai Univ, Coll Mech & Elect Engn, Changzhou 213022, Jiangsu, Peoples R China

[2] Tech Univ Denmark, Dept Mech Engn, Koppels Alle, DK-2800 Lyngby, Denmark

来源：

JOURNAL OF SOLUTION CHEMISTRY | 2023年 / 52卷 / 01期

关键词：

Mean ionic activity coefficients; Aqueous solution; Symmetrical tetra alkyl ammonium halides; Electrolyte equation of state; EQUATION-OF-STATE; DIRECTIONAL ATTRACTIVE FORCES; PHASE-EQUILIBRIA; DIELECTRIC-PROPERTIES; THERMODYNAMIC PROPERTIES; ELECTROLYTE-SOLUTIONS; ASSOCIATION; HYDRATION; ALKYLAMMONIUM; SALTS;

D O I：

10.1007/s10953-022-01211-w

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this work, aqueous solutions of 12 symmetrical tetra alkyl ammonium halides are modelled using the electrolyte cubic-plus-association (e-CPA) equation of state. The only adjustable parameter (the ion-water interaction parameter at reference temperature) is obtained by fitting the experimental mean ionic activity and osmotic coefficients at 298.15 K. The modelling results show that e-CPA can perform relatively well for the mean ionic activity and osmotic coefficients. To know a complete understanding of the capabilities and limitations of this modelling work, extensive analysis and discussion of experimental data, parameter estimation, and ion species is performed. Moreover, some possible improvements for the model are proposed based on the microscopic mechanism of the aqueous solutions.

引用

页码：19 / 50

页数：32

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