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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.
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页码:309 / 324
页数:16
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