Comprehensive models for density prediction of ionic liquid plus molecular solvent mixtures at different temperatures

被引:8
|
作者
Jouyban, Abolghasem [1 ,2 ,3 ]
Mirheydari, Seyyedeh Narjes [4 ]
Barzegar-Jalali, Mohammad [2 ,5 ]
Shekaari, Hemayat [6 ]
Acree, Jr William E. [7 ]
机构
[1] Tabriz Univ Med, Pharmaceut Anal Res Ctr, Tabriz, Iran
[2] Tabriz Univ Med, Fac Pharm, Tabriz, Iran
[3] Tabriz Univ Med Sci, Kimia Idea Pardaz Azarbayjan KIPA Sci Based Co, Tabriz, Iran
[4] Tabriz Univ Med Sci, Drug Appl Res Ctr, Tabriz, Iran
[5] Tabriz Univ Med Sci, Res Ctr Pharmaceut Nanotechnol, Tabriz, Iran
[6] Univ Tabriz, Dept Phys Chem, Fac Chem, Tabriz, Iran
[7] Univ North Texas, Dept Chem, Denton, TX 76203 USA
关键词
density; prediction; ionic liquid mixtures; Jouyban-Acree; Jouyban-Acree-Abraham; EXCESS MOLAR VOLUMES; BINARY-MIXTURES; PHYSICAL-PROPERTIES; THERMODYNAMIC PROPERTIES; 1-BUTYL-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE; REFRACTIVE-INDEX; 1-ETHYL-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE; AQUEOUS-SOLUTIONS; API-IL; THERMOPHYSICAL PROPERTIES;
D O I
10.1080/00319104.2019.1594222
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
To present comprehensive models for density prediction of the binary mixtures of ionic liquids (ILs), the density data for 193 sets of ionic liquid + molecular solvents were collected from the literature and were analysed by Jouyban-Acree and Jouyban-Acree-van't Hoff and their combined version with Abraham solvation parameters. To check the capability of the trained models for density prediction, the 'leave many out' cross-validation method was used and the obtained overall % ARD were 3.7, 8.7, 4.1 and 8.5 for Jouyban-Acree, Jouyban-Acree-van't Hoff, Jouyban-Acree-Abraham and Jouyban-Acree-van't Hoff-Abraham models, respectively. It was concluded that all predictive models have the excellent accuracy for density prediction of the studied mixtures but the Jouyban-Acree and Jouyban-Acree-Abraham with lower %ARD are better than other models. However, the Jouyban-Acree-van't Hoff-Abraham models may be preferred due to the lack of necessity of density data for components 1 and 2.
引用
收藏
页码:309 / 324
页数:16
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